Name: Name:3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(3-thienylmethyl)-
Brand: Angene
SKU: AG002SHR
Rating: 90 (10 reviews)

3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(3-thienylmethyl)-

CAS No.:

262610-50-4

Catalog Number:

AG002SHR

Molecular Formula:

C8H9N3S2

Molecular Weight:

211.3072

Catalog Number:

AG002SHR

Chemical Name:

3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(3-thienylmethyl)-

CAS Number:

262610-50-4

Molecular Formula:

C8H9N3S2

Molecular Weight:

211.3072

MDL Number:

MFCD00832943

IUPAC Name:

4-methyl-3-(thiophen-3-ylmethyl)-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C8H9N3S2/c1-11-7(9-10-8(11)12)4-6-2-3-13-5-6/h2-3,5H,4H2,1H3,(H,10,12)

InChI Key:

BKRQBMPAPNONKK-UHFFFAOYSA-N

SMILES:

Cn1c(n[nH]c1=S)Cc1cscc1

Complexity:

252

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

211.024g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.301g/mol

Monoisotopic Mass:

211.024g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3