Name: Name:2-(1,3-benzothiazol-2-yl)-3-[(2,3-dimethylphenyl)amino]-3-sulfanylprop-2-enenitrile
Brand: Angene
SKU: AG019HA5
Rating: 90 (10 reviews)

2-(1,3-benzothiazol-2-yl)-3-[(2,3-dimethylphenyl)amino]-3-sulfanylprop-2-enenitrile

CAS No.:

380195-09-5

Catalog Number:

AG019HA5

Molecular Formula:

C18H15N3S2

Molecular Weight:

337.4618

Catalog Number:

AG019HA5

Chemical Name:

2-(1,3-benzothiazol-2-yl)-3-[(2,3-dimethylphenyl)amino]-3-sulfanylprop-2-enenitrile

CAS Number:

380195-09-5

Molecular Formula:

C18H15N3S2

Molecular Weight:

337.4618

MDL Number:

MFCD07278242

IUPAC Name:

2-(3H-1,3-benzothiazol-2-ylidene)-2-cyano-N-(2,3-dimethylphenyl)ethanethioamide

InChI:

InChI=1S/C18H15N3S2/c1-11-6-5-8-14(12(11)2)20-17(22)13(10-19)18-21-15-7-3-4-9-16(15)23-18/h3-9,21H,1-2H3,(H,20,22)

InChI Key:

JWMUUELXVIJMOJ-UHFFFAOYSA-N

SMILES:

N#CC(=C(Nc1cccc(c1C)C)S)c1nc2c(s1)cccc2

Complexity:

548

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

337.071g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

337.459g/mol

Monoisotopic Mass:

337.071g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

105A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: