Home Other Building Blocks methyl(4-methylbenzyl)sulfane

methyl(4-methylbenzyl)sulfane

CAS No.:
5925-57-5
Catalog Number:
AG01E64C
Molecular Formula:
C9H12S
Molecular Weight:
152.2566
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Product Description
Catalog Number:
AG01E64C
Chemical Name:
methyl(4-methylbenzyl)sulfane
CAS Number:
5925-57-5
Molecular Formula:
C9H12S
Molecular Weight:
152.2566
MDL Number:
MFCD23143133
IUPAC Name:
1-methyl-4-(methylsulfanylmethyl)benzene
InChI:
InChI=1S/C9H12S/c1-8-3-5-9(6-4-8)7-10-2/h3-6H,7H2,1-2H3
InChI Key:
LMWQBORWKRUWCL-UHFFFAOYSA-N
SMILES:
CSCc1ccc(cc1)C
Properties
Complexity:
82.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.066g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.255g/mol
Monoisotopic Mass:
152.066g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties