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Home > Other Heterocycles > 113447-61-3
113447-61-3 | 7-Thiabicyclo[4.1.0]heptane, 1-methyl-4-(2-methyl-2-thiiranyl)-
CAS No: 113447-61-3 Catalog No: AG0008MV MDL No:
Product Description
Catalog Number:
AG0008MV
Chemical Name:
7-Thiabicyclo[4.1.0]heptane, 1-methyl-4-(2-methyl-2-thiiranyl)-
CAS Number:
113447-61-3
Molecular Formula:
C10H16S2
Molecular Weight:
200.3640
IUPAC Name:
1-methyl-4-(2-methylthiiran-2-yl)-7-thiabicyclo[4.1.0]heptane
InChI:
InChI=1S/C10H16S2/c1-9-4-3-7(5-8(9)12-9)10(2)6-11-10/h7-8H,3-6H2,1-2H3
InChI Key:
XSHBGGWYWNEXOW-UHFFFAOYSA-N
SMILES:
CC1(SC1)C1CCC2(C(C1)S2)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.358g/mol
Monoisotopic Mass:
200.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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