Name: Name:1,3,4-Thiadiazole-2(3H)-thione, 5-[(phenylmethyl)amino]-
Brand: Angene
SKU: AG001ESB
Rating: 90 (10 reviews)

1,3,4-Thiadiazole-2(3H)-thione, 5-[(phenylmethyl)amino]-

CAS No.:

14731-27-2

Catalog Number:

AG001ESB

Molecular Formula:

C9H9N3S2

Molecular Weight:

223.3179

Catalog Number:

AG001ESB

Chemical Name:

1,3,4-Thiadiazole-2(3H)-thione, 5-[(phenylmethyl)amino]-

CAS Number:

14731-27-2

Molecular Formula:

C9H9N3S2

Molecular Weight:

223.3179

MDL Number:

MFCD03152454

IUPAC Name:

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

InChI:

InChI=1S/C9H9N3S2/c13-9-12-11-8(14-9)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H,12,13)

InChI Key:

QWHHWOMUBFYDRB-UHFFFAOYSA-N

SMILES:

S=c1[nH]nc(s1)NCc1ccccc1

Complexity:

246

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

223.024g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

223.312g/mol

Monoisotopic Mass:

223.024g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2