CAS 74239-55-7 | Methiazole | CAS Number 74239-55-7

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74239-55-7 | Methiazole

CAS No: 74239-55-7 Catalog No: AG005YPI MDL No:

Product Description

Catalog Number:

AG005YPI

Chemical Name:

Methiazole

CAS Number:

74239-55-7

Molecular Formula:

C12H15N3O2S

Molecular Weight:

265.3314

IUPAC Name:

methyl N-(6-propan-2-ylsulfanyl-1H-benzimidazol-2-yl)carbamate

InChI:

InChI=1S/C12H15N3O2S/c1-7(2)18-8-4-5-9-10(6-8)14-11(13-9)15-12(16)17-3/h4-7H,1-3H3,(H2,13,14,15,16)

InChI Key:

SXJIZQPZESTWLD-UHFFFAOYSA-N

SMILES:

COC(=O)Nc1nc2c([nH]1)cc(cc2)SC(C)C

Properties

Complexity:

301

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

265.088g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

265.331g/mol

Monoisotopic Mass:

265.088g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

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