Name: Name:4-[5-(benzylsulfanyl)-2-sulfanylidene-2,3-dihydro-1,3,4-thiadiazol-3-yl]benzoic acid
Brand: Angene
SKU: AG019IS3
Rating: 90 (10 reviews)

4-[5-(benzylsulfanyl)-2-sulfanylidene-2,3-dihydro-1,3,4-thiadiazol-3-yl]benzoic acid

CAS No.:

733794-42-8

Catalog Number:

AG019IS3

Molecular Formula:

C16H12N2O2S3

Molecular Weight:

360.4737

Catalog Number:

AG019IS3

Chemical Name:

4-[5-(benzylsulfanyl)-2-sulfanylidene-2,3-dihydro-1,3,4-thiadiazol-3-yl]benzoic acid

CAS Number:

733794-42-8

Molecular Formula:

C16H12N2O2S3

Molecular Weight:

360.4737

MDL Number:

MFCD04610164

IUPAC Name:

4-(5-benzylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoic acid

InChI:

InChI=1S/C16H12N2O2S3/c19-14(20)12-6-8-13(9-7-12)18-16(21)23-15(17-18)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)

InChI Key:

NOIXLVHHHWFZJF-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)n1nc(sc1=S)SCc1ccccc1

Complexity:

484

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

360.006g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

360.464g/mol

Monoisotopic Mass:

360.006g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

136A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6