Home Other Building Blocks methyl 2-{[4-(propan-2-yl)phenyl]sulfanyl}acetate

methyl 2-{[4-(propan-2-yl)phenyl]sulfanyl}acetate

CAS No.:
875256-85-2
Catalog Number:
AG019UKM
Molecular Formula:
C12H16O2S
Molecular Weight:
224.3192
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Product Description
Catalog Number:
AG019UKM
Chemical Name:
methyl 2-{[4-(propan-2-yl)phenyl]sulfanyl}acetate
CAS Number:
875256-85-2
Molecular Formula:
C12H16O2S
Molecular Weight:
224.3192
MDL Number:
MFCD11184358
IUPAC Name:
methyl 2-(4-propan-2-ylphenyl)sulfanylacetate
InChI:
InChI=1S/C12H16O2S/c1-9(2)10-4-6-11(7-5-10)15-8-12(13)14-3/h4-7,9H,8H2,1-3H3
InChI Key:
OBVQTSRRLQMUEM-UHFFFAOYSA-N
SMILES:
COC(=O)CSc1ccc(cc1)C(C)C
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.087g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.318g/mol
Monoisotopic Mass:
224.087g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties