N-Deacetylthiocolchicine

(7S)-7-amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one

CAS: 2731-16-0

Molecular Formula	`C20H23NO4S`
Molecular Weight	373.5 g/mol
LogP	1.5
Topological Polar Surface Area	96.1 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	373.13477
Heavy Atoms	26
Complexity	642.0

Chemical Identifiers

CAS Number	2731-16-0
SMILES	`COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)N)OC)OC`
InChIKey	`NUNCOHUMTCDISK-AWEZNQCLSA-N`

📖 Product Overview

N-Deacetylthiocolchicine (CAS: 2731-16-0) is a chemical compound with molecular formula C20H23NO4S and molecular weight 373.5 g/mol. Its IUPAC systematic name is (7S)-7-amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one. LogP 1.5 Topological Polar Surface Area 96.1 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 4 Exact Mass 373.13477 Heavy Atoms 26 Complexity 642.0 InChI Key: NUNCOHUMTCDISK-AWEZNQCLSA-N. SMILES: COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)N)OC)OC.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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