Name: Name:4-(2-methoxyethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019HDD
Rating: 90 (10 reviews)

4-(2-methoxyethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol

CAS No.:

663181-77-9

Catalog Number:

AG019HDD

Molecular Formula:

C10H12N4OS

Molecular Weight:

236.2935

Catalog Number:

AG019HDD

Chemical Name:

4-(2-methoxyethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol

CAS Number:

663181-77-9

Molecular Formula:

C10H12N4OS

Molecular Weight:

236.2935

MDL Number:

MFCD03414048

IUPAC Name:

4-(2-methoxyethyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C10H12N4OS/c1-15-7-6-14-9(12-13-10(14)16)8-2-4-11-5-3-8/h2-5H,6-7H2,1H3,(H,13,16)

InChI Key:

YEEXLQYXOMMAAJ-UHFFFAOYSA-N

SMILES:

COCCn1c(S)nnc1c1ccncc1

Complexity:

289

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

236.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.293g/mol

Monoisotopic Mass:

236.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4