2-Mercaptobenzoic Acid Hydrazide - CAS 24611-43-6

Catalog:	BB063757
Product Name:	2-Mercaptobenzoic Acid Hydrazide
CAS:	24611-43-6
Synonyms:	2-Sulfanylbenzohydrazide; o-Mercaptobenzohydrazide; o-Mercapto-benzoic Acid Hydrazide

Technical Data

IUPAC Name:	2-sulfanylbenzohydrazide
Description:	2-Mercaptobenzoic Acid Hydrazide is an intermediate used in the synthesis of N,N'-Bis(2-mercaptobenzoyl)hydrazide (B481825), which is a selective inhibitor of HIV-1 integrase. Has no other effect on other retroviral targets, including reverse transcriptase, protease, and virus attachement, and exhibits no detectable activity against human topoisomerases I and II at concentrations that effectively inhibit integrase.
Molecular Weight:	168.22
Molecular Formula:	C7H8N2OS
Canonical SMILES:	C1=CC=C(C(=C1)C(=O)NN)S
InChI:	InChI=1S/C7H8N2OS/c8-9-7(10)5-3-1-2-4-6(5)11/h1-4,11H,8H2,(H,9,10)
InChI Key:	HEEFKHNBQNJSOD-UHFFFAOYSA-N
References:	Neamati, N., et al. J. Med. Chem., 45, 5661 (2003).

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.03573406
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	168.03573406
Rotatable Bond Count:	1
Topological Polar Surface Area:	56.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3