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89518-03-6 | Carbamic acid, (1,3,4-thiadiazol-2-ylsulfonyl)-, phenyl ester
CAS No: 89518-03-6 Catalog No: AG0040VN MDL No:
Product Description
Catalog Number:
AG0040VN
Chemical Name:
Carbamic acid, (1,3,4-thiadiazol-2-ylsulfonyl)-, phenyl ester
CAS Number:
89518-03-6
Molecular Formula:
C9H7N3O4S2
Molecular Weight:
285.2996
IUPAC Name:
phenyl N-(1,3,4-thiadiazol-2-ylsulfonyl)carbamate
InChI:
InChI=1S/C9H7N3O4S2/c13-8(16-7-4-2-1-3-5-7)12-18(14,15)9-11-10-6-17-9/h1-6H,(H,12,13)
InChI Key:
DKKZFEDBPMEHPV-UHFFFAOYSA-N
SMILES:
O=C(NS(=O)(=O)c1nncs1)Oc1ccccc1
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.988g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.292g/mol
Monoisotopic Mass:
284.988g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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