CAS 610276-80-7|5-(4-chlorophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thiol|5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazole-3-thiol|5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazole-3-...

Molecular Formula

C₁₀H₆ClN₃S₂

Molecular Mass

267.75774

Exact Mass

266.96916689

InChI

InChI=1S/C10H6ClN3S2/c11-7-3-1-6(2-4-7)8-5-16-10-13-12-9(15)14(8)10/h1-5H,(H,12,15)

InChIKey

QSDOIJACNQRZKE-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc(cc1)c1csc2n1c(S)nn2

Isomeric Smiles

n12c(nnc1S)scc2c1ccc(cc1)Cl

JChem

Acid pKa

7.1367364

H Acceptors

H Donor

LogD (pH = 5.5)

2.771992

LogD (pH = 7.4)

2.3580756

Log P

2.7815275

Molar Refractivity

81.0302

Polarizability

26.983189

Polar Surface Area

30.19

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

4738267

Synonyms

5-(4-chlorophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thiol5-(4-Chlorophenyl)thiazolo[2,3-c]-1,2,4-triazole-3-thiol

IUPAC name

5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazole-3-thiol

IUPAC Traditional name

5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazole-3-thiol

CAS Number

610276-80-7

MDL Number

MFCD06254380

PubChem SID

162102989

Physical Property

Partition Coefficient

3.932

Product Information

Purity

95+%

96%

Safety Information

GHS Pictograms

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

GHS Hazard statements

H315-H319-H335

Risk Statements

36/37/38

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501A

European Hazard Symbols

Irritant (Xi)

Safety Statements

26-37-60

TSCA Listed

否

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Academic Data

PubChem

4738267

Synonyms

5-(4-chlorophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thiol5-(4-Chlorophenyl)thiazolo[2,3-c]-1,2,4-triazole-3-thiol

IUPAC name

5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazole-3-thiol

IUPAC Traditional name

5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazole-3-thiol

CAS Number

610276-80-7

MDL Number

MFCD06254380

PubChem SID

162102989

Physical Property

Partition Coefficient

3.932

Product Information

Purity

95+%

96%

Safety Information

GHS Pictograms

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

GHS Hazard statements

H315-H319-H335

Risk Statements

36/37/38

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501A

European Hazard Symbols

Irritant (Xi)

Safety Statements

26-37-60

TSCA Listed

否

No Data Available

Click here to submit data

Molecule

ID:118885