Name: Name:5-[1-(dimethylamino)propyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019J88
Rating: 90 (10 reviews)

5-[1-(dimethylamino)propyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

CAS No.:

750599-40-7

Catalog Number:

AG019J88

Molecular Formula:

C14H20N4OS

Molecular Weight:

292.3998

Catalog Number:

AG019J88

Chemical Name:

5-[1-(dimethylamino)propyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

CAS Number:

750599-40-7

Molecular Formula:

C14H20N4OS

Molecular Weight:

292.3998

MDL Number:

MFCD06335076

IUPAC Name:

3-[1-(dimethylamino)propyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C14H20N4OS/c1-5-12(17(2)3)13-15-16-14(20)18(13)10-6-8-11(19-4)9-7-10/h6-9,12H,5H2,1-4H3,(H,16,20)

InChI Key:

UTPHCUBHEWXMLE-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)n1c(S)nnc1C(N(C)C)CC

Complexity:

377

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

292.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

292.401g/mol

Monoisotopic Mass:

292.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5