Name: Name:3H-1,2,4-Triazole-3-thione, 5-[(2-benzothiazolylthio)methyl]-2,4-dihydro-4-phenyl-
Brand: Angene
SKU: AG000D5J
Rating: 90 (10 reviews)

3H-1,2,4-Triazole-3-thione, 5-[(2-benzothiazolylthio)methyl]-2,4-dihydro-4-phenyl-

CAS No.:

116710-50-0

Catalog Number:

AG000D5J

Molecular Formula:

C16H12N4S3

Molecular Weight:

356.4883

Catalog Number:

AG000D5J

Chemical Name:

3H-1,2,4-Triazole-3-thione, 5-[(2-benzothiazolylthio)methyl]-2,4-dihydro-4-phenyl-

CAS Number:

116710-50-0

Molecular Formula:

C16H12N4S3

Molecular Weight:

356.4883

MDL Number:

MFCD03480240

IUPAC Name:

3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C16H12N4S3/c21-15-19-18-14(20(15)11-6-2-1-3-7-11)10-22-16-17-12-8-4-5-9-13(12)23-16/h1-9H,10H2,(H,19,21)

InChI Key:

DEYCSCCQLNRYNL-UHFFFAOYSA-N

SMILES:

S=c1[nH]nc(n1c1ccccc1)CSc1nc2c(s1)cccc2

Complexity:

478

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

356.022g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

356.48g/mol

Monoisotopic Mass:

356.022g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

126A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6