Basic information
- CAS
6203-95-8- Standard SMILES
C=CCSc1ccnc(-c2ccccc2)n1- InChIKey
PWWLXLYEUHJYMB-UHFFFAOYSA-N- Molecular formula
- C13H12N2S
- Average molar mass
- 228.31 g/mol
- Monoisotopic mass
- 228.07211956
Names & identifiers
- Preferred name
- 2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine
- IUPAC
- 2-phenyl-4-prop-2-enylsulfanylpyrimidine
Names & synonyms
Pyrimidine, 4-(allylthio)-2-phenyl-6203-95-89X3IG790UHNSC-888122-Phenyl-4-(2-propen-1-ylthio)-pyrimidineDTXSID80211091RefChem:1064150DTXCID801335824-(Allylthio)-2-phenylpyrimidine6318-01-04-(allylsulfanyl)-2-phenylpyrimidineNSC 88812
Show more names
BRN 1570857NSC88812UNII-9X3IG790UH5-23-12-00115 (Beilstein Handbook Reference)SCHEMBL5139546WLN: T6N CNJ BR DS2U12-Phenyl-4-[(prop-2-en-1-yl)sulfanyl]pyrimidine
Database identifiers
- CAS
6203-95-8- PubChem CID
- 96753
- DTXSID
DTXSID80211091- UNII
- 9X3IG790UH
- Nikkaji
- J51.376H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 214
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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