Basic information
- CAS
4874-33-3- Standard SMILES
CSc1ncc(O)cn1- InChIKey
VVTBLRLLKIDVKB-UHFFFAOYSA-N- Molecular formula
- C5H6N2OS
- Average molar mass
- 142.18 g/mol
- Monoisotopic mass
- 142.02008399
Names & identifiers
- Preferred name
- 2-(Methylsulfanyl)pyrimidin-5-ol
- IUPAC
- 2-methylsulfanylpyrimidin-5-ol
- English name
- 5-Pyrimidinol, 2-(methylthio)- (6CI,7CI,8CI,9CI)
- Molecular formula
- C5H6N2OS
- Molecular weight
- 142.18
Names & synonyms
2-(METHYLSULFANYL)PYRIMIDIN-5-OLRefChem:461383866-987-22-(Methylthio)pyrimidin-5-ol4874-33-35-HYDROXY-2-(METHYLTHIO)PYRIMIDINE2-methylsulfanylpyrimidin-5-olMFCD002237375-Pyrimidinol, 2-(methylthio)- (6CI,7CI,8CI,9CI)2-(METHYLTHIO)-5-PYRIMIDINOL2-METHYLTHIO-5-HYDROXYPYRIMIDINE5-Hydroxy-2-methylthiopyrimidine
Show more names
5-Pyrimidinol, 2-(methylthio)- (6CI,7CI,8CI,9CI) ISO 9001：2015 REACH
5-PYRIMIDINOL, 2-(METHYLTHIO)-SCHEMBL8505642-Methylsulfanyl-pyrimidin-5-olDTXSID003432272-methylthio-5-hydroxy-pyrimidine2-(Methylsulfanyl)-5-pyrimidinol #AKOS006275499AB04983
Database identifiers
- CAS
4874-33-3- PubChem CID
- 588357
- DTXSID
DTXSID00343227- EC Number
- 105-223-8、866-987-2
- Nikkaji
- J2.362.832E
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83
Physicochemical properties
- Melting point
- 176 · 176-177 °C
- Boiling point
- 301.2 · 301.2±15.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 6.44 · 6.44±0.23(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- 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.
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Suppliers42 total
上海莉凯化工技术有限公司16628776521 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Aladdin Scientific[email protected]
Wuhan Konberd Biotech Co., Ltd+undefined-18986093962 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安徽合诺生物科技有限公司18455579438
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
Related reactions
14 records
Compound notes
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