Basic information
- CAS
1044145-59-6- Standard SMILES
CSc1ncc(CO)c(Cl)n1- InChIKey
ADJUHOQFENGHSW-UHFFFAOYSA-N- Molecular formula
- C6H7ClN2OS
- Average molar mass
- 190.65 g/mol
- Monoisotopic mass
- 189.99676152
Names & identifiers
- Preferred name
- (4-Chloro-2-(methylthio)pyrimidin-5-yl)methanol
- IUPAC
- (4-chloro-2-methylsulfanylpyrimidin-5-yl)methanol
- English name
- (4-CHLORO-2-METHYLSULFANYL-PYRIMIDIN-5-YL)-METHANOL
- Molecular formula
- C6H7ClN2OS
- Molecular weight
- 190.65
Names & synonyms
(4-Chloro-2-(methylthio)pyrimidin-5-yl)methanol[4-Chloro-2-(methylthio)pyrimidin-5-yl]methanolRefChem:402588836-268-81044145-59-6[4-Chloro-2-(methylsulfanyl)pyrimidin-5-yl]methanol(4-CHLORO-2-METHYLSULFANYL-PYRIMIDIN-5-YL)-METHANOLMFCD11858523(4-chloro-2-methylsulfanylpyrimidin-5-yl)methanol4-Chloro-5-(hydroxymethyl)-2-(methylthio)pyrimidineSCHEMBL1355444DTXSID10731939
Show more names
1042034-Chloro-2-(methylthio)-5-pyrimidinemethanol5-Pyrimidinemethanol, 4-chloro-2-(methylthio)-(4-CHLORO-2-METHYLSULFANYL-PYRIMIDIN-5-YL)-METHANOL ISO 9001：2015 REACH
ADJUHOQFENGHSW-UHFFFAOYSA-NAKOS016004510PB13454AS-50847SY023012DB-059134CS-00529824-Chloro-2-(methylthio)pyrimidine-5-methanol
Database identifiers
- CAS
1044145-59-6- PubChem CID
- 59419388
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 339.6 · 339.6±27.0 °C(Predicted)
- Density
- 1.45 · 1.45
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 12.54 · 12.54±0.10(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
- 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 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers57 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
南京腾怡生物科技有限公司17714337195 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
Related reactions
8 records
Compound notes
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