Name: Name:5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol
Brand: Angene
SKU: AG00ICHS
Rating: 90 (10 reviews)

5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol

CAS No.:

742094-74-2

Catalog Number:

AG00ICHS

Molecular Formula:

C12H15N3O2S2

Molecular Weight:

297.3964

Catalog Number:

AG00ICHS

Chemical Name:

5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol

CAS Number:

742094-74-2

Molecular Formula:

C12H15N3O2S2

Molecular Weight:

297.3964

MDL Number:

MFCD05261229

IUPAC Name:

5-[2-(3,4-dimethoxyphenyl)ethylamino]-3H-1,3,4-thiadiazole-2-thione

InChI:

InChI=1S/C12H15N3O2S2/c1-16-9-4-3-8(7-10(9)17-2)5-6-13-11-14-15-12(18)19-11/h3-4,7H,5-6H2,1-2H3,(H,13,14)(H,15,18)

InChI Key:

UUAYOJOLFNRHJK-UHFFFAOYSA-N

SMILES:

COc1cc(CCNc2nnc(s2)S)ccc1OC

Complexity:

352

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

297.061g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

297.391g/mol

Monoisotopic Mass:

297.061g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

112A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6