Name: Name:4-cyclopropyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019M38
Rating: 90 (10 reviews)

4-cyclopropyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

CAS No.:

853723-98-5

Catalog Number:

AG019M38

Molecular Formula:

C10H11N3S2

Molecular Weight:

237.3444

Catalog Number:

AG019M38

Chemical Name:

4-cyclopropyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

CAS Number:

853723-98-5

Molecular Formula:

C10H11N3S2

Molecular Weight:

237.3444

MDL Number:

MFCD06655864

IUPAC Name:

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

InChI:

InChI=1S/C10H11N3S2/c14-10-12-11-9(13(10)7-3-4-7)6-8-2-1-5-15-8/h1-2,5,7H,3-4,6H2,(H,12,14)

InChI Key:

YFLJIWADRKDDKS-UHFFFAOYSA-N

SMILES:

Sc1nnc(n1C1CC1)Cc1cccs1

Complexity:

312

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.039g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.339g/mol

Monoisotopic Mass:

237.039g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8