Name: Name:5-(4-Butyl-phenylamino)-[1,3,4]thiadiazole-2-thiol
Brand: Angene
SKU: AG00ICLM
Rating: 90 (10 reviews)

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

CAS No.:

750613-93-5

Catalog Number:

AG00ICLM

Molecular Formula:

C12H15N3S2

Molecular Weight:

265.3976

Catalog Number:

AG00ICLM

Chemical Name:

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

CAS Number:

750613-93-5

Molecular Formula:

C12H15N3S2

Molecular Weight:

265.3976

MDL Number:

MFCD03655883

IUPAC Name:

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

InChI:

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

InChI Key:

UFYJLWRSIFAIJV-UHFFFAOYSA-N

SMILES:

CCCCc1ccc(cc1)Nc1nnc(s1)S

Complexity:

296

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:

4.2