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952183-42-5 | 2-(1H-indazol-6-yl)tetrahydro-1H-1lambda~6~-isothiazole-1,1-dione
CAS No: 952183-42-5 Catalog No: AG00IIUT MDL No:MFCD09607932
Product Description
Catalog Number:
AG00IIUT
Chemical Name:
2-(1H-indazol-6-yl)tetrahydro-1H-1lambda~6~-isothiazole-1,1-dione
CAS Number:
952183-42-5
Molecular Formula:
C10H11N3O2S
Molecular Weight:
237.2782
MDL Number:
MFCD09607932
IUPAC Name:
2-(1H-indazol-6-yl)-1,2-thiazolidine 1,1-dioxide
InChI:
InChI=1S/C10H11N3O2S/c14-16(15)5-1-4-13(16)9-3-2-8-7-11-12-10(8)6-9/h2-3,6-7H,1,4-5H2,(H,11,12)
InChI Key:
OTTOANJZYFHWLF-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCCN1c1ccc2c(c1)[nH]nc2
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.277g/mol
Monoisotopic Mass:
237.057g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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