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774-51-6 | 2H-Thiopyran, 4-(4-chlorophenyl)tetrahydro-
CAS No: 774-51-6 Catalog No: AG005LLD MDL No:
Product Description
Catalog Number:
AG005LLD
Chemical Name:
2H-Thiopyran, 4-(4-chlorophenyl)tetrahydro-
CAS Number:
774-51-6
Molecular Formula:
C11H13ClS
Molecular Weight:
212.7389
IUPAC Name:
4-(4-chlorophenyl)thiane
InChI:
InChI=1S/C11H13ClS/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10H,5-8H2
InChI Key:
WROVLOOOXFUDMO-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C1CCSCC1
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.735g/mol
Monoisotopic Mass:
212.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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