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Basic information
- CAS
51594-86-6- Standard SMILES
CSc1ccc(NC(=O)OCc2cccnc2)cc1- InChIKey
KHTCKRBILMFWJI-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2S
- Average molar mass
- 274.34 g/mol
- Monoisotopic mass
- 274.07759887
Names & identifiers
- Preferred name
- Carbamic acid, (4-(methylthio)phenyl)-, 3-pyridinylmethyl ester
- IUPAC
- pyridin-3-ylmethyl N-(4-methylsulfanylphenyl)carbamate
Names & synonyms
CARBAMIC ACID, (4-(METHYLTHIO)PHENYL)-, 3-PYRIDINYLMETHYL ESTER51594-86-6DTXSID60199545RefChem:1080836DTXCID20122036BRN 1541346(4-(Methylthio)phenyl)carbamic acid 3-pyridinylmethyl esterSCHEMBL11818293KHTCKRBILMFWJI-UHFFFAOYSA-N3-pyridylmethyl N-(4'-methylthiophenyl)carbamate3-pyridylmethyl N-(4'-methylthiophenyl)-carbamate(Pyridin-3-yl)methyl [4-(methylsulfanyl)phenyl]carbamate
Database identifiers
- CAS
51594-86-6- PubChem CID
- 40069
- DTXSID
DTXSID60199545
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 281
Related reactions
3 records
Compound notes
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