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88742-91-0 | Phenol, 4-(5-amino-1,3,4-thiadiazol-2-yl)-2,6-dimethoxy-
CAS No: 88742-91-0 Catalog No: AG004CS0 MDL No:
Product Description
Catalog Number:
AG004CS0
Chemical Name:
Phenol, 4-(5-amino-1,3,4-thiadiazol-2-yl)-2,6-dimethoxy-
CAS Number:
88742-91-0
Molecular Formula:
C10H11N3O3S
Molecular Weight:
253.2776
IUPAC Name:
4-(5-amino-1,3,4-thiadiazol-2-yl)-2,6-dimethoxyphenol
InChI:
InChI=1S/C10H11N3O3S/c1-15-6-3-5(4-7(16-2)8(6)14)9-12-13-10(11)17-9/h3-4,14H,1-2H3,(H2,11,13)
InChI Key:
QNBTUTTWKYBCPU-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1O)OC)c1nnc(s1)N
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.276g/mol
Monoisotopic Mass:
253.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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