Name: Name:5-amino-1-benzyl-1H-1,2,3-triazole-4-carbothioamide
Brand: Angene
SKU: AG01B4TG
Rating: 90 (10 reviews)

5-amino-1-benzyl-1H-1,2,3-triazole-4-carbothioamide

CAS No.:

20271-34-5

Catalog Number:

AG01B4TG

Molecular Formula:

C10H11N5S

Molecular Weight:

233.2928

Catalog Number:

AG01B4TG

Chemical Name:

5-amino-1-benzyl-1H-1,2,3-triazole-4-carbothioamide

CAS Number:

20271-34-5

Molecular Formula:

C10H11N5S

Molecular Weight:

233.2928

MDL Number:

MFCD29991792

IUPAC Name:

5-amino-1-benzyltriazole-4-carbothioamide

InChI:

InChI=1S/C10H11N5S/c11-9-8(10(12)16)13-14-15(9)6-7-4-2-1-3-5-7/h1-5H,6,11H2,(H2,12,16)

InChI Key:

XQTIYEPLNKHOQF-UHFFFAOYSA-N

SMILES:

NC(=S)c1nnn(c1N)Cc1ccccc1

NSC Number:

111591

Complexity:

254

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

233.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

233.293g/mol

Monoisotopic Mass:

233.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

115A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3