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85582-45-2 | 1,2-Thiazetidine, 2-methyl-, 1,1-dioxide
CAS No: 85582-45-2 Catalog No: AG00525R MDL No:
Product Description
Catalog Number:
AG00525R
Chemical Name:
1,2-Thiazetidine, 2-methyl-, 1,1-dioxide
CAS Number:
85582-45-2
Molecular Formula:
C3H7NO2S
Molecular Weight:
121.1582
IUPAC Name:
2-methylthiazetidine 1,1-dioxide
InChI:
InChI=1S/C3H7NO2S/c1-4-2-3-7(4,5)6/h2-3H2,1H3
InChI Key:
VXQHCXXAJAYEJS-UHFFFAOYSA-N
SMILES:
CN1CCS1(=O)=O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.02g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.154g/mol
Monoisotopic Mass:
121.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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