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10230-61-2,MFCD01709787
Catalog No.:AA00072S
10230-61-2 | 1,2-Benzenedimethanethiol, 4,5-dimethyl-
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Technical Information
Catalog Number:
AA00072S
Chemical Name:
1,2-Benzenedimethanethiol, 4,5-dimethyl-
CAS Number:
10230-61-2
Molecular Formula:
C10H14S2
Molecular Weight:
198.3482
MDL Number:
MFCD01709787
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
Computed 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  

Synonyms
 
4,5-Bis(mercaptomethyl)-o-xylene 
10230-61-2 
AC1Q7GOH 
(4,5-dimethyl-1,2-phenylene)dimethanethiol 
AC1L33HD 
1,2,4,5-Tetramethylbenzene-alpha,alpha'-dithiol 
Durene-alpha1,alpha2-dithiol 
SCHEMBL985209 
o-Xylene-.alpha.,.alpha.'-dithiol, 4,5-dimethyl- 
ACMC-20981g 
4,5-Dimethyl-o-xylylenedithiol 
DTXSID1065009 
1,2-Benzenedimethanethiol, 4,5-dimethyl- 
CTK8A9033 
NNGQXIUDFKIVKI-UHFFFAOYSA-N 
ZINC162462 
o-Xylene-.alpha., 4,5-dimethyl- 
ZX-AT026667 
ANW-14690 
MFCD00004869 
Durene-.alpha.-1,.alpha.-2-dithiol 
FCH1115162 
NSC-169963 
UNII-KYL78P7L21 
4,5-Dimethyl-1,2-benzenedimethanethiol 
CC-17254 
ZB007838 
TC-103435 
1,2-dimethyl-4,5-di(mercaptomethyl)benzene 
B1105 
FT-0625630 
ST50308591 
1,2-Dimethyl-4,5-bis(mercaptomethyl)benzene 
C-34037 
KYL78P7L21 
4,5-Dimethyl-2-(sulfanylmethyl)benzyl hydrosulfide # 
o-Xylene-alpha,alpha'-dithiol, 4,5-dimethyl- (8CI) 
[4,5-dimethyl-2-(sulfanylmethyl)phenyl]methane-1-thiol 
1, 4,5-dimethyl- 
C(S)c1cc(C)c(C)cc1CS 
C10H14S2 
CID82471 
AR-1I7071 
C10-H14-S2 
1028-40-6 
[4,5-dimethyl-2-(sulfanylmethyl)phenyl]methanethiol 
durene-a1,a2-dithiol 
EINECS 233-551-2 
NSC169963 
NSC 169963 
Literature
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