Primary record
AC1N2H4K
- CAS
- 72536-44-8
- PubChem CID
- 4046650
- SMILES
- CCN(CC)C1=NC=CC(=CC1SC)C2=CC=CC=C2
- Molecular Formula
- C17H22N2S
- Molecular Weight
- 286.444
- Exact Mass
- 286.1504
- InChI
- InChI=1S/C17H22N2S/c1-4-19(5-2)17-16(20-3)13-15(11-12-18-17)14-9-7-6-8-10-14/h6-13,16H,4-5H2,1-3H3
- InChIKey
- RCBINDWMUCCWLP-UHFFFAOYSA-N
- LogP
- 4.0692
- TPSA
- 15.6
Names and synonyms
- RefChem:313831
- AC1N2H4K
- DTXSID20398739
- CTK2H2360
- DTXCID10349598
- RCBINDWMUCCWLP-UHFFFAOYSA-N
- ZINC00343270
- N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine
- CID4046650
- AC-907/15498193
- 72536-44-8
- N,N-diethyl-N-[3-(methylsulfanyl)-5-phenyl-3H-azepin-2-yl]amine
- 3H-Azepin-2-amine, N,N-diethyl-3-(methylthio)-5-phenyl-
- N,N-DIETHYL-3-(METHYLSULFANYL)-5-PHENYL-3H-AZEPIN-2-AMINE