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Molecule
ID:69306
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₃H₇NS
Molecular Mass
89.15938
Exact Mass
89.02992023
Charge
0
InChI
InChI=1S/C3H7NS/c1-4(2)3-5/h3H,1-2H3
InChIKey
SKECXRFZFFAANN-UHFFFAOYSA-N
Canonic Smiles
S=CN(C)C
Isomeric Smiles
C(=S)N(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.7758216
LogD (pH = 7.4)
0.7758216
Log P
0.7758216
Molar Refractivity
27.7282
Polarizability
10.840952
Polar Surface Area
3.24
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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Quote
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
IUPAC name
•
IUPAC Traditional name
•
Synonyms
Registration numbers
Properties
•
Safety Information
•
Product Information
•
Physical Property
Related Proteins
Molecular Spectra
Molecule Details
•
MP Biomedicals
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
MP Biomedicals
05224414
Matrix Scientific
074779
Sigma Aldrich
163643
Chemik
CHO0162
Bide Pharmatech
BD158399
Alfa Aesar
B24529
Academic Data
PubChem
69794
Names and Identifiers
IUPAC name
N,N-dimethylmethanethioamide
IUPAC Traditional name
N,N-dimethylmethanethioamide
Synonyms
N,N-Dimethylthioformamide
N,N-DIMETHYL THIOFORMAMIDE
N,N-二甲基硫代甲酰胺
N,N-Dimethylthioformamide
Registration numbers
CAS Number
758-16-7
MDL Number
MFCD00004943
EC Number
212-060-7
PubChem CID
69794
PubChem SID
162035033
24849757
Beilstein Number
1737191
Molecule Details
MP Biomedicals
05224414
MP Biomedicals Rare Chemical collection
Sigma Aldrich
163643
Packaging
25 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
CAS Number
•
MDL Number
•
EC Number
•
PubChem CID
•
PubChem SID
•
Beilstein Number
Properties
Safety Information
MSDS Link
Download link
Source
Download link
Source
Download link
Source
Storage Warning
IRRITANT
Source
TSCA Listed
false
Source
是
Source
R:
36/37/38
Source
21/22
Source
20/21/22
-
36/37/38
Source
S:
20
-
25
-
26
-
37/39
Source
36/37
Source
9
-
26
-
36/37
Irritant (Xi)
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Warning
Source
H302
-
H312
Source
H301
-
H311
-
H332
-
H315
-
H319
-
H335
Source
2810
Source
6.1
Source
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
P280
Source
P261
-
P301+P310
-
P305+P351+P338
-
P361
-
P405
-P501A
Source
3
Source
UN 2810 6.1/PG 3
Source
3
Source
Product Information
95+%
Source
≥98%
Source
97%
Source
Download link
Source
HCSN(CH3)2
Source
Physical Property
210.2 °F
Source
99 °C
Source
1.047 g/mL at 25 °C(lit.)
Source
58-60 °C/1 mmHg(lit.)
Source
58-60°C/1mm
Source
n20/D 1.576(lit.)
Source
Source
Source
Harmful (Xn)
Source
Harmful (X)
Source
Source
Acute toxicity (oral, dermal, inhalation), categories 1,2,3
Source
Risk Statements
Safety Statements
European Hazard Symbols
GHS Pictograms
GHS Signal Word
GHS Hazard statements
UN Number
Hazard Class
Personal Protective Equipment
GHS Precautionary statements
Packing Group
RID/ADR
German water hazard class
Purity
Certificate of Analysis
Linear Formula
Flash Point
Density
Boiling Point
Refractive Index