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115271-81-3 | 1,2,3-Thiadiazole, 2,5-dihydro-4-methyl-2-phenyl-, 1,1-dioxide
CAS No: 115271-81-3 Catalog No: AG000GJZ MDL No:
Product Description
Catalog Number:
AG000GJZ
Chemical Name:
1,2,3-Thiadiazole, 2,5-dihydro-4-methyl-2-phenyl-, 1,1-dioxide
CAS Number:
115271-81-3
Molecular Formula:
C9H10N2O2S
Molecular Weight:
210.2529
IUPAC Name:
4-methyl-2-phenyl-5H-thiadiazole 1,1-dioxide
InChI:
InChI=1S/C9H10N2O2S/c1-8-7-14(12,13)11(10-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChI Key:
ZQZOLBWJDSYREU-UHFFFAOYSA-N
SMILES:
CC1=NN(S(=O)(=O)C1)c1ccccc1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.251g/mol
Monoisotopic Mass:
210.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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