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113409-75-9 | Thiirane, 2-ethenyl-3-(1-methylethyl)-, trans- (9CI)
CAS No: 113409-75-9 Catalog No: AG0008H7 MDL No:
Product Description
Catalog Number:
AG0008H7
Chemical Name:
Thiirane, 2-ethenyl-3-(1-methylethyl)-, trans- (9CI)
CAS Number:
113409-75-9
Molecular Formula:
C7H12S
Molecular Weight:
128.2352
IUPAC Name:
2-ethenyl-3-propan-2-ylthiirane
InChI:
InChI=1S/C7H12S/c1-4-6-7(8-6)5(2)3/h4-7H,1H2,2-3H3
InChI Key:
HYKZWPUGHZVCQB-UHFFFAOYSA-N
SMILES:
C=C[C@@H]1S[C@H]1C(C)C
Properties
Complexity:
96.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.066g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.233g/mol
Monoisotopic Mass:
128.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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