Home Other Building Blocks 4-(methylsulfanyl)benzyl methyl sulfide

4-(methylsulfanyl)benzyl methyl sulfide

CAS No.:
16155-11-6
Catalog Number:
AG01BJEE
Molecular Formula:
C9H12S2
Molecular Weight:
184.3216
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Product Description
Catalog Number:
AG01BJEE
Chemical Name:
4-(methylsulfanyl)benzyl methyl sulfide
CAS Number:
16155-11-6
Molecular Formula:
C9H12S2
Molecular Weight:
184.3216
MDL Number:
MFCD23143129
IUPAC Name:
1-methylsulfanyl-4-(methylsulfanylmethyl)benzene
InChI:
InChI=1S/C9H12S2/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6H,7H2,1-2H3
InChI Key:
GPHHGTBCBWUEJV-UHFFFAOYSA-N
SMILES:
CSCc1ccc(cc1)SC
Properties
Complexity:
95.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.038g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.315g/mol
Monoisotopic Mass:
184.038g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties