Name: Name:3-[3-sulfanyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-yl]propanamide
Brand: Angene
SKU: AG019KIR
Rating: 90 (10 reviews)

3-[3-sulfanyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-yl]propanamide

CAS No.:

929972-33-8

Catalog Number:

AG019KIR

Molecular Formula:

C9H10N4OS2

Molecular Weight:

254.3319

Catalog Number:

AG019KIR

Chemical Name:

3-[3-sulfanyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-yl]propanamide

CAS Number:

929972-33-8

Molecular Formula:

C9H10N4OS2

Molecular Weight:

254.3319

MDL Number:

MFCD09040509

IUPAC Name:

3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

InChI:

InChI=1S/C9H10N4OS2/c10-7(14)3-4-13-8(11-12-9(13)15)6-2-1-5-16-6/h1-2,5H,3-4H2,(H2,10,14)(H,12,15)

InChI Key:

PBKQPKTWRMDFRX-UHFFFAOYSA-N

SMILES:

NC(=O)CCn1c(S)nnc1c1cccs1

Complexity:

344

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.03g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.326g/mol

Monoisotopic Mass:

254.03g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

131A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5