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2083-32-1 | Thiophene, 2,5-dihydro-3-(4-methyl-3-penten-1-yl)-, 1,1-dioxide
CAS No: 2083-32-1 Catalog No: AG002JMO MDL No:
Product Description
Catalog Number:
AG002JMO
Chemical Name:
Thiophene, 2,5-dihydro-3-(4-methyl-3-penten-1-yl)-, 1,1-dioxide
CAS Number:
2083-32-1
Molecular Formula:
C10H16O2S
Molecular Weight:
200.2978
IUPAC Name:
3-(4-methylpent-3-enyl)-2,5-dihydrothiophene 1,1-dioxide
InChI:
InChI=1S/C10H16O2S/c1-9(2)4-3-5-10-6-7-13(11,12)8-10/h4,6H,3,5,7-8H2,1-2H3
InChI Key:
NKPPFFZEYUIUAH-UHFFFAOYSA-N
SMILES:
CC(=CCCC1=CCS(=O)(=O)C1)C
EC Number:
218-221-8
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.087g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.296g/mol
Monoisotopic Mass:
200.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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