Home Halogens 6-chloro-4,4-dimethylthiochroman

6-chloro-4,4-dimethylthiochroman

CAS No.:
1352491-80-5
Catalog Number:
AG01CA6F
Molecular Formula:
C11H13ClS
Molecular Weight:
212.7389
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Product Description
Catalog Number:
AG01CA6F
Chemical Name:
6-chloro-4,4-dimethylthiochroman
CAS Number:
1352491-80-5
Molecular Formula:
C11H13ClS
Molecular Weight:
212.7389
MDL Number:
MFCD21496337
IUPAC Name:
6-chloro-4,4-dimethyl-2,3-dihydrothiochromene
InChI:
InChI=1S/C11H13ClS/c1-11(2)5-6-13-10-4-3-8(12)7-9(10)11/h3-4,7H,5-6H2,1-2H3
InChI Key:
OOINUIHPTRTFAE-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(C)(C)CCS2
Properties
Complexity:
191  
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:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties