Name: Name:3-[4-(oxolan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propanamide
Brand: Angene
SKU: AG019KIV
Rating: 90 (10 reviews)

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

CAS No.:

929972-45-2

Catalog Number:

AG019KIV

Molecular Formula:

C10H16N4O2S

Molecular Weight:

256.3246

Catalog Number:

AG019KIV

Chemical Name:

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

CAS Number:

929972-45-2

Molecular Formula:

C10H16N4O2S

Molecular Weight:

256.3246

MDL Number:

MFCD09040513

IUPAC Name:

3-[4-(oxolan-2-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]propanamide

InChI:

InChI=1S/C10H16N4O2S/c11-8(15)3-4-9-12-13-10(17)14(9)6-7-2-1-5-16-7/h7H,1-6H2,(H2,11,15)(H,13,17)

InChI Key:

PFSWSBBXRMEJGE-UHFFFAOYSA-N

SMILES:

NC(=O)CCc1nnc(n1CC1CCCO1)S

Complexity:

358

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

256.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

256.324g/mol

Monoisotopic Mass:

256.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

112A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.8