2-methyl-2,3,12,12a-tetrahydro-1H-[1]benzothiepino[4,3,2-de]isoquinoline

12-methyl-2-thia-12-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene

CAS: 93361-72-9

Molecular Formula	`C17H17NS`
Molecular Weight	267.4 g/mol
LogP	3.7
Topological Polar Surface Area	28.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	0
Exact Mass	267.1082
Heavy Atoms	19
Complexity	331.0

Chemical Identifiers

CAS Number	93361-72-9
SMILES	`CN1CC2CC3=CC=CC=C3SC4=CC=CC(=C24)C1`
InChIKey	`BTMBDRIKPNQIGA-UHFFFAOYSA-N`

📖 Product Overview

2-methyl-2,3,12,12a-tetrahydro-1H-[1]benzothiepino[4,3,2-de]isoquinoline (CAS: 93361-72-9) is a chemical compound with molecular formula C17H17NS and molecular weight 267.4 g/mol. Its IUPAC systematic name is 12-methyl-2-thia-12-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene. LogP 3.7 Topological Polar Surface Area 28.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 0 Exact Mass 267.1082 Heavy Atoms 19 Complexity 331.0 InChI Key: BTMBDRIKPNQIGA-UHFFFAOYSA-N. SMILES: CN1CC2CC3=CC=CC=C3SC4=CC=CC(=C24)C1.

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