Name: Name:N-[1-(1H-1,2,3-Benzotriazol-1-yl)propyl]benzenecarbothioamide
Brand: Angene
SKU: AG01F6J5
Rating: 90 (10 reviews)

N-[1-(1H-1,2,3-Benzotriazol-1-yl)propyl]benzenecarbothioamide

CAS No.:

170937-80-1

Catalog Number:

AG01F6J5

Molecular Formula:

C16H16N4S

Molecular Weight:

296.3900

Catalog Number:

AG01F6J5

Chemical Name:

N-[1-(1H-1,2,3-Benzotriazol-1-yl)propyl]benzenecarbothioamide

CAS Number:

170937-80-1

Molecular Formula:

C16H16N4S

Molecular Weight:

296.3900

MDL Number:

MFCD00965944

IUPAC Name:

N-[1-(benzotriazol-1-yl)propyl]benzenecarbothioamide

InChI:

InChI=1S/C16H16N4S/c1-2-15(17-16(21)12-8-4-3-5-9-12)20-14-11-7-6-10-13(14)18-19-20/h3-11,15H,2H2,1H3,(H,17,21)

InChI Key:

BTHBBCKPRHMOPS-UHFFFAOYSA-N

SMILES:

CCC(n1nnc2c1cccc2)NC(=S)c1ccccc1

Complexity:

356

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

296.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

296.392g/mol

Monoisotopic Mass:

296.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6