CAS 56-04-2|6-Methyl-2-thiouracil|6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one|methylthiouracil|6-Methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-one|4-Hydroxy-2-mercapto-6-methylpyrimid...

InChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)

HWGBHCRJGXAGEU-UHFFFAOYSA-N

Cc1cc(=O)[nH]c(=S)[nH]1

[nH]1c(=S)[nH]c(=O)cc1C

Acid pKa

8.0914755

H Acceptors

H Donor

LogD (pH = 5.5)

0.23555286

LogD (pH = 7.4)

0.15721829

Log P

0.2366513

Molar Refractivity

39.7793

Polarizability

14.757935

Polar Surface Area

41.13

Rotatable Bonds

Lipinski's Rule of Five

true

6-Methyl-2-thiouracil6-Methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-one4-Hydroxy-2-mercapto-6-methylpyrimidineMethylthiouracil6-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one4-Hydroxy-6-methyl-2-thiopyrimidine4-Hydroxy-2-mercapto-6-methylpyrimidine6-甲基-2-硫脲嘧啶6-甲基-2-硫脲嘧啶4-Hydroxy-2-mercapto 6-methylpyrimidine4-羟基-2-巯基-6-甲基嘧啶4-羟基-2-巯基-6-甲基嘧啶MZU甲基硫脲嘧啶6-Methyl-2-thiouracil6-Methyl-2-thiouracil

IUPAC Traditional name

6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

1.36

330(dec.)°C

~330 °C (dec.)(lit.)

ca 329°C dec.

Pharmacology Properties

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02102351

Crystalline

H33800

Packaging
100 g in poly bottle

46453

Legal Information
VETRANAL is a trademark of Sigma-Aldrich Co. LLC

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Names and Identifiers

Synonyms

IUPAC Traditional name

methylthiouracil

IUPAC name

6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

Registration numbers

CAS Number

56-04-2

MDL Number

MFCD00006040

PubChem CID

667493

PubChem SID

248859182489557316203337324870192

EC Number

Merck Index

Beilstein Number

Molecule Details

Crystalline

H33800

Packaging
100 g in poly bottle

46453

Legal Information
VETRANAL is a trademark of Sigma-Aldrich Co. LLC

References

PubChem Literature

No Data Available

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Bioactivity

PubChem BioAssay

Storage Warning

IRRITANT

Carcinogenic/Harmful/Light Sensitive

TSCA Listed

false

是

Storage Condition

Room Temperature (15-30°C)

Safety Statements

S:28-36/37/39-45-53-61

36/37

UN Number

3077

European Hazard Symbols

Nature polluting (N)

Harmful (Xn)

Toxic (T)

Harmful (X)

Australian Hazchem

Hazard Class

Emergency Response Guidebook(ERG) Number

171

Risk Statements

R:22-45-58

22-40

RTECS

YR0875000

Packing Group

III

Personal Protective Equipment

Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

GHS Pictograms

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

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

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

GHS Signal Word

Warning

German water hazard class

GHS Hazard statements

H302-H351

H301-H351

GHS Precautionary statements

P281

P281-P301+P310-P321-P308+P313-P405-P501A

Molecule

ID:67638