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89555-94-2 | Thiophene, 2-(1-chloro-1-methylethyl)tetrahydro-5-methyl-, 1,1-dioxide
CAS No: 89555-94-2 Catalog No: AG003ZG4 MDL No:
Product Description
Catalog Number:
AG003ZG4
Chemical Name:
Thiophene, 2-(1-chloro-1-methylethyl)tetrahydro-5-methyl-, 1,1-dioxide
CAS Number:
89555-94-2
Molecular Formula:
C8H15ClO2S
Molecular Weight:
210.7215
IUPAC Name:
2-(2-chloropropan-2-yl)-5-methylthiolane 1,1-dioxide
InChI:
InChI=1S/C8H15ClO2S/c1-6-4-5-7(8(2,3)9)12(6,10)11/h6-7H,4-5H2,1-3H3
InChI Key:
PNVVGZBYRPOISP-UHFFFAOYSA-N
SMILES:
CC1CCC(S1(=O)=O)C(Cl)(C)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.716g/mol
Monoisotopic Mass:
210.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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