Basic information
- CAS
118996-61-5- Standard SMILES
CSc1nc(-c2ccccc2)nc(Cl)c1C#N- InChIKey
FOQOFHGQPGHIJX-UHFFFAOYSA-N- Molecular formula
- C12H8ClN3S
- Average molar mass
- 261.73 g/mol
- Monoisotopic mass
- 261.0127461
Names & identifiers
- Preferred name
- 4-Chloro-6-(methylthio)-2-phenylpyrimidine-5-carbonitrile
- IUPAC
- 4-chloro-6-methylsulfanyl-2-phenylpyrimidine-5-carbonitrile
- English name
- 4-Chloro-6-(methylsulfanyl)-2-phenyl-5-pyrimidinecarbonitrile
- Molecular formula
- C12H8ClN3S
- Molecular weight
- 261.73
Names & synonyms
118996-61-54-Chloro-6-(methylthio)-2-phenylpyrimidine-5-carbonitrile4-chloro-6-methylsulfanyl-2-phenylpyrimidine-5-carbonitrile4-chloro-6-(methylsulfanyl)-2-phenyl-5-pyrimidinecarbonitrileMFCD000678475-Pyrimidinecarbonitrile,4-chloro-6-(methylthio)-2-phenyl-4-chloro-6-(methylsulfanyl)-2-phenylpyrimidine-5-carbonitrile4-Chloro-6-methylsulfanyl-2-phenyl-pyrimidine-5-carbonitrileCHEMBL159438SCHEMBL83829944-chloro-6-methylthio-2-phenylpyrimidine-5-carbonitrileDTXSID10352840
Show more names
4-CHLORO-5-CYANO-6-(METHYLTHIO)-2-PHENYLPYRIMIDINE
SBB102473AKOS015916877PS-7359SB58542CS-0321233E86821AP-782/41885511F723701
Database identifiers
- CAS
118996-61-5
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P301+P312
- Hazard Codes
- Xi
- 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_code
- Xi
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P301+P312
Chemistry & industry
Suppliers13 total
北京炎礼生物科技有限公司18600731423 · [email protected]
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
北京博恩康达医药科技有限公司13261021908 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
陕西伊坤特医药科技有限公司18049260030 18049260030 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京索美科医药科技有限公司13464564313 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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