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

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

CAS No.:
863669-70-9
Catalog Number:
AG019OKB
Molecular Formula:
C11H13N3O3S
Molecular Weight:
267.3042
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Product Description
Catalog Number:
AG019OKB
Chemical Name:
ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]acetate
CAS Number:
863669-70-9
Molecular Formula:
C11H13N3O3S
Molecular Weight:
267.3042
MDL Number:
MFCD07339195
IUPAC Name:
ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]acetate
InChI:
InChI=1S/C11H13N3O3S/c1-2-16-10(15)6-9-12-13-11(18)14(9)7-8-4-3-5-17-8/h3-5H,2,6-7H2,1H3,(H,13,18)
InChI Key:
NBTKZLOJFNOQCA-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1nnc(n1Cc1ccco1)S
Properties
Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.068g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.303g/mol
Monoisotopic Mass:
267.068g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties