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114719-65-2 | Benzenemethanethiol, 2,4-dimethoxy-
CAS No: 114719-65-2 Catalog No: AG000F3G MDL No:MFCD19347818
Product Description
Catalog Number:
AG000F3G
Chemical Name:
Benzenemethanethiol, 2,4-dimethoxy-
CAS Number:
114719-65-2
Molecular Formula:
C9H12O2S
Molecular Weight:
184.2554
MDL Number:
MFCD19347818
IUPAC Name:
(2,4-dimethoxyphenyl)methanethiol
InChI:
InChI=1S/C9H12O2S/c1-10-8-4-3-7(6-12)9(5-8)11-2/h3-5,12H,6H2,1-2H3
InChI Key:
CXXYXDKJRAOBKX-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1CS
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.253g/mol
Monoisotopic Mass:
184.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
19.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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