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10230-61-2 | 1,2-Benzenedimethanethiol, 4,5-dimethyl-
CAS No: 10230-61-2 Catalog No: AG00075K MDL No:MFCD00004869
Product Description
Catalog Number:
AG00075K
Chemical Name:
1,2-Benzenedimethanethiol, 4,5-dimethyl-
CAS Number:
10230-61-2
Molecular Formula:
C10H14S2
Molecular Weight:
198.3482
MDL Number:
MFCD00004869
IUPAC Name:
[4,5-dimethyl-2-(sulfanylmethyl)phenyl]methanethiol
InChI:
InChI=1S/C10H14S2/c1-7-3-9(5-11)10(6-12)4-8(7)2/h3-4,11-12H,5-6H2,1-2H3
InChI Key:
NNGQXIUDFKIVKI-UHFFFAOYSA-N
SMILES:
SCc1cc(C)c(cc1CS)C
EC Number:
233-551-2
UNII:
KYL78P7L21
NSC Number:
169963
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.342g/mol
Monoisotopic Mass:
198.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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