CAS 13124-09-9 | Hydrazinecarbothioamide, 2-(3,4-dichlorophenyl)- | CAS Number 13124-09-9

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13124-09-9 | Hydrazinecarbothioamide, 2-(3,4-dichlorophenyl)-

CAS No: 13124-09-9 Catalog No: AG000VSK MDL No:MFCD00792560

Product Description

Catalog Number:

AG000VSK

Chemical Name:

Hydrazinecarbothioamide, 2-(3,4-dichlorophenyl)-

CAS Number:

13124-09-9

Molecular Formula:

C7H7Cl2N3S

Molecular Weight:

236.1216

MDL Number:

MFCD00792560

IUPAC Name:

(3,4-dichloroanilino)thiourea

InChI:

InChI=1S/C7H7Cl2N3S/c8-5-2-1-4(3-6(5)9)11-12-7(10)13/h1-3,11H,(H3,10,12,13)

InChI Key:

KFDCINBRGZTQLH-UHFFFAOYSA-N

SMILES:

NC(=S)NNc1ccc(c(c1)Cl)Cl

Properties

Complexity:

191

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.974g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.114g/mol

Monoisotopic Mass:

234.974g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501