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1520131-57-0 | 3-(3-iodo-1H-1,2,4-triazol-1-yl)-1lambda6-thiolane-1,1-dione
CAS No: 1520131-57-0 Catalog No: AG01BFXJ MDL No:MFCD23768906
Product Description
Catalog Number:
AG01BFXJ
Chemical Name:
3-(3-iodo-1H-1,2,4-triazol-1-yl)-1lambda6-thiolane-1,1-dione
CAS Number:
1520131-57-0
Molecular Formula:
C6H8IN3O2S
Molecular Weight:
313.1161
MDL Number:
MFCD23768906
IUPAC Name:
3-(3-iodo-1,2,4-triazol-1-yl)thiolane 1,1-dioxide
InChI:
InChI=1S/C6H8IN3O2S/c7-6-8-4-10(9-6)5-1-2-13(11,12)3-5/h4-5H,1-3H2
InChI Key:
BXDKPOPWJBUHAG-UHFFFAOYSA-N
SMILES:
Ic1ncn(n1)C1CCS(=O)(=O)C1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.938g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.113g/mol
Monoisotopic Mass:
312.938g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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