Home Other Building Blocks 3-[4-(furan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propanamide

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

CAS No.:
929972-48-5
Catalog Number:
AG019KIW
Molecular Formula:
C10H12N4O2S
Molecular Weight:
252.2929
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Product Description
Catalog Number:
AG019KIW
Chemical Name:
3-[4-(furan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propanamide
CAS Number:
929972-48-5
Molecular Formula:
C10H12N4O2S
Molecular Weight:
252.2929
MDL Number:
MFCD09040514
IUPAC Name:
3-[4-(furan-2-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]propanamide
InChI:
InChI=1S/C10H12N4O2S/c11-8(15)3-4-9-12-13-10(17)14(9)6-7-2-1-5-16-7/h1-2,5H,3-4,6H2,(H2,11,15)(H,13,17)
InChI Key:
SSLZMYMNQDTHCN-UHFFFAOYSA-N
SMILES:
NC(=O)CCc1nnc(n1Cc1ccco1)S
Properties
Complexity:
358  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.068g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
252.292g/mol
Monoisotopic Mass:
252.068g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties