Name: Name:5-(2-Methoxy-5-methyl-phenylamino)-[1,3,4]thiadiazole-2-thiol
Brand: Angene
SKU: AG00I7H1
Rating: 90 (10 reviews)

5-(2-Methoxy-5-methyl-phenylamino)-[1,3,4]thiadiazole-2-thiol

CAS No.:

379728-86-6

Catalog Number:

AG00I7H1

Molecular Formula:

C10H11N3OS2

Molecular Weight:

253.3438

Catalog Number:

AG00I7H1

Chemical Name:

5-(2-Methoxy-5-methyl-phenylamino)-[1,3,4]thiadiazole-2-thiol

CAS Number:

379728-86-6

Molecular Formula:

C10H11N3OS2

Molecular Weight:

253.3438

MDL Number:

MFCD03152703

IUPAC Name:

5-(2-methoxy-5-methylanilino)-3H-1,3,4-thiadiazole-2-thione

InChI:

InChI=1S/C10H11N3OS2/c1-6-3-4-8(14-2)7(5-6)11-9-12-13-10(15)16-9/h3-5H,1-2H3,(H,11,12)(H,13,15)

InChI Key:

CAKSBWQTZZGWDD-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1Nc1nnc(s1)S)C

Complexity:

308

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.034g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.338g/mol

Monoisotopic Mass:

253.034g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6