Basic information
- CAS
3358-41-6- Standard SMILES
CSC1=NCCCCN1- InChIKey
APZLFZUMHUZNIJ-UHFFFAOYSA-N- Molecular formula
- C6H12N2S
- Average molar mass
- 144.24 g/mol
- Monoisotopic mass
- 144.07211956
Names & identifiers
- Preferred name
- 2-(methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine
- IUPAC
- 2-methylsulfanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
Names & synonyms
3358-41-62-(methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepineDTXSID20276801RefChem:254370DTXCID60202609SCHEMBL2896154APZLFZUMHUZNIJ-UHFFFAOYSA-N2-(METHYLSULFANYL)-4,5,6,7-TETRAHYDRO-1H-1,3-DIAZEPINEAKOS006351311DB-2932892-Methylthio-4,5,6,7-tetrahydro-1h-[1,3]diazepine4,5,6,7-tetrahydro-2-methylthio-1H-1,3-diazepine
Database identifiers
- CAS
3358-41-6- PubChem CID
- 201154
- DTXSID
DTXSID20276801- Nikkaji
- J620.965C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 112
Related reactions
6 records
Compound notes
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