2-(Methylthio)-4-(1-pyrrolidinyl)-3H-1,5-benzodiazepine
Basic information
- CAS
69540-76-7- Standard SMILES
CSC1=Nc2ccccc2N=C(N2CCCC2)C1- InChIKey
IVMCVGIHPGDYRC-UHFFFAOYSA-N- Molecular formula
- C14H17N3S
- Average molar mass
- 259.37 g/mol
- Monoisotopic mass
- 259.11431873
Names & identifiers
- Preferred name
- 2-(Methylthio)-4-(1-pyrrolidinyl)-3H-1,5-benzodiazepine
- IUPAC
- 4-methylsulfanyl-2-pyrrolidin-1-yl-3H-1,5-benzodiazepine
Names & synonyms
69540-76-7NP4UB2GX552-(Methylthio)-4-(1-pyrrolidinyl)-3H-1,5-benzodiazepineNSC334664UNII-NP4UB2GX55NSC 334664MLS003170849NSC-3346644-methylsulfanyl-2-pyrrolidin-1-yl-3H-1,5-benzodiazepineDTXSID40989522SMR001874766Methyl 4-(1-pyrrolidinyl)-3H-1,5-benzodiazepin-2-yl sulfide
Show more names
3H-1,5-BENZODIAZEPINE, 2-(METHYLTHIO)-4-(1-PYRROLIDINYL)-2-(METHYLSULFANYL)-4-(PYRROLIDIN-1-YL)-3H-1,5-BENZODIAZEPINE
Database identifiers
- CAS
69540-76-7- PubChem CID
- 333480
- DTXSID
DTXSID40989522- UNII
- NP4UB2GX55
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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