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144432-72-4 | 1,2,5-Thiadiazolidine, 2-(phenylmethyl)-, 1,1-dioxide
CAS No: 144432-72-4 Catalog No: AG001JI6 MDL No:MFCD04037043
Product Description
Catalog Number:
AG001JI6
Chemical Name:
1,2,5-Thiadiazolidine, 2-(phenylmethyl)-, 1,1-dioxide
CAS Number:
144432-72-4
Molecular Formula:
C9H12N2O2S
Molecular Weight:
212.2688
MDL Number:
MFCD04037043
IUPAC Name:
2-benzyl-1,2,5-thiadiazolidine 1,1-dioxide
InChI:
InChI=1S/C9H12N2O2S/c12-14(13)10-6-7-11(14)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChI Key:
RJTRRBSRESVPKI-UHFFFAOYSA-N
SMILES:
O=S1(=O)NCCN1Cc1ccccc1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.267g/mol
Monoisotopic Mass:
212.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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