Name: Name:5-(chloromethyl)-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
Brand: Angene
SKU: AG019N15
Rating: 90 (10 reviews)

5-(chloromethyl)-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide

CAS No.:

1087792-49-1

Catalog Number:

AG019N15

Molecular Formula:

C12H12ClN3OS

Molecular Weight:

281.7612

Catalog Number:

AG019N15

Chemical Name:

5-(chloromethyl)-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide

CAS Number:

1087792-49-1

Molecular Formula:

C12H12ClN3OS

Molecular Weight:

281.7612

MDL Number:

MFCD11099637

IUPAC Name:

5-(chloromethyl)-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide

InChI:

InChI=1S/C12H12ClN3OS/c1-2-8-3-5-9(6-4-8)14-11(17)12-16-15-10(7-13)18-12/h3-6H,2,7H2,1H3,(H,14,17)

InChI Key:

IGHYJZJMLYBGKS-UHFFFAOYSA-N

SMILES:

CCc1ccc(cc1)NC(=O)c1nnc(s1)CCl

Complexity:

285

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

281.039g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

281.758g/mol

Monoisotopic Mass:

281.039g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8