Name: Name:5-(benzylimino)-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-thiol
Brand: Angene
SKU: AG01EITC
Rating: 90 (10 reviews)

5-(benzylimino)-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-thiol

CAS No.:

748778-11-2

Catalog Number:

AG01EITC

Molecular Formula:

C10H11N3S2

Molecular Weight:

237.3444

Catalog Number:

AG01EITC

Chemical Name:

5-(benzylimino)-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-thiol

CAS Number:

748778-11-2

Molecular Formula:

C10H11N3S2

Molecular Weight:

237.3444

MDL Number:

MFCD03653122

IUPAC Name:

5-benzylimino-4-methyl-1,3,4-thiadiazolidine-2-thione

InChI:

InChI=1S/C10H11N3S2/c1-13-9(15-10(14)12-13)11-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,14)

InChI Key:

OEFRFEJBTZCUGH-UHFFFAOYSA-N

SMILES:

Sc1sc(=NCc2ccccc2)n(n1)C

Complexity:

272

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.039g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.339g/mol

Monoisotopic Mass:

237.039g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6