Name: Name:5-oxo-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Brand: Angene
SKU: AG01EITK
Rating: 90 (10 reviews)

5-oxo-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

CAS No.:

165283-98-7

Catalog Number:

AG01EITK

Molecular Formula:

C10H8N2OS

Molecular Weight:

204.2483

Catalog Number:

AG01EITK

Chemical Name:

5-oxo-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

CAS Number:

165283-98-7

Molecular Formula:

C10H8N2OS

Molecular Weight:

204.2483

MDL Number:

MFCD02042503

IUPAC Name:

5-oxo-2-sulfanylidene-1,6,7,8-tetrahydroquinoline-3-carbonitrile

InChI:

InChI=1S/C10H8N2OS/c11-5-6-4-7-8(12-10(6)14)2-1-3-9(7)13/h4H,1-3H2,(H,12,14)

InChI Key:

VQSFARIYUUEKEA-UHFFFAOYSA-N

SMILES:

N#Cc1cc2C(=O)CCCc2nc1S

Complexity:

436

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.247g/mol

Monoisotopic Mass:

204.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6