Basic information
- CAS
1979-98-2- Standard SMILES
CSc1nc(O)cc(=O)[nH]1- InChIKey
AEXCUJUYEZIWJV-UHFFFAOYSA-N- Molecular formula
- C5H6N2O2S
- Average molar mass
- 158.18 g/mol
- Monoisotopic mass
- 158.01499861
Names & identifiers
- Preferred name
- 2-Methylthiopyrimidine-4,6-diol
- IUPAC
- 4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one
- English name
- 4,6-Dihydroxy-2-methythiopyrimidine
- Molecular formula
- C5H6N2O2S
- Molecular weight
- 158.18
Names & synonyms
2-Methylthiopyrimidine-4,6-diol2-Methylsulfanyl-pyrimidine-4,6-diolEINECS 217-839-5DTXSID90173499NSC 44557RefChem:476302DTXCID2095990217-839-5692-345-429639-68-71979-98-24,6-Dihydroxy-2-methylthiopyrimidine
Show more names
S-MTBApyrimidine-4,6(1H,5H)S-METHYLTHIOBARBITURIC ACID4, 6-dihydroxy-2-methyrimidine2-METHYLTHIO-4,6-PYRIMIDINEDIOL4,6-Dihydroxy-2-meththiopyrimidine4,6-DIHYDROXY-2-METHYTHIOPYRIMIDINE2-Methyl-1-sulfanylpyriMidine-4,6-diol4,6-Dihydroxy-2-methylsulfanylpyrimidine2-(Methylthio)pyriMidine-4,6(1H,5H)-dione
2-(methylthio)pyrimidine-4,6-diol4,6-Dihydroxy-2-methylmercaptopyrimidine2-(methylthio)-4,6-pyrimidinediol4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one4(1H)-Pyrimidinone, 6-hydroxy-2-(methylthio)-2-methylthio-4,6-dihydroxypyrimidineMFCD000060874,6-Dihydroxy-2-(methylthio)pyrimidine
Database identifiers
- CAS
1979-98-2、29639-68-7- PubChem CID
- 74795
- DTXSID
DTXSID90173499- EC Number
- 217-839-5、692-345-4
- Nikkaji
- J199.797A
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 7.27 · 7.27±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 2 · 2
- HazardClass
- IRRITANT
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (16.7%)
Acute Tox. 4 (100%)
Safety data
- wgk
- 2
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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