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100-68-5 | Benzene, (methylthio)-
CAS No: 100-68-5 Catalog No: AG00006Y MDL No:MFCD00008559
Product Description
Catalog Number:
AG00006Y
Chemical Name:
Benzene, (methylthio)-
CAS Number:
100-68-5
Molecular Formula:
C7H8S
Molecular Weight:
124.2034
MDL Number:
MFCD00008559
IUPAC Name:
methylsulfanylbenzene
InChI:
InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChI Key:
HNKJADCVZUBCPG-UHFFFAOYSA-N
SMILES:
CSc1ccccc1
EC Number:
202-878-2
UNII:
BB4K737YF4
NSC Number:
57916
FEMA Number:
3873
Properties
Complexity:
55.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.035g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.201g/mol
Monoisotopic Mass:
124.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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