Name: Name:5-[(2,6-diethylphenyl)amino]-1,3,4-thiadiazole-2-thiol
Brand: Angene
SKU: AG019M8A
Rating: 90 (10 reviews)

5-[(2,6-diethylphenyl)amino]-1,3,4-thiadiazole-2-thiol

CAS No.:

873810-48-1

Catalog Number:

AG019M8A

Molecular Formula:

C12H15N3S2

Molecular Weight:

265.3976

Catalog Number:

AG019M8A

Chemical Name:

5-[(2,6-diethylphenyl)amino]-1,3,4-thiadiazole-2-thiol

CAS Number:

873810-48-1

Molecular Formula:

C12H15N3S2

Molecular Weight:

265.3976

MDL Number:

MFCD00174867

IUPAC Name:

5-(2,6-diethylanilino)-3H-1,3,4-thiadiazole-2-thione

InChI:

InChI=1S/C12H15N3S2/c1-3-8-6-5-7-9(4-2)10(8)13-11-14-15-12(16)17-11/h5-7H,3-4H2,1-2H3,(H,13,14)(H,15,16)

InChI Key:

RZXIGOQQXLXSMQ-UHFFFAOYSA-N

SMILES:

CCc1cccc(c1Nc1nnc(s1)S)CC

Complexity:

305

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

265.071g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

265.393g/mol

Monoisotopic Mass:

265.071g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9