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20876-79-3 | Benzenecarbodithioic acid, 2,4,6-trimethyl-, phenyl ester
CAS No: 20876-79-3 Catalog No: AG002JW8 MDL No:
Product Description
Catalog Number:
AG002JW8
Chemical Name:
Benzenecarbodithioic acid, 2,4,6-trimethyl-, phenyl ester
CAS Number:
20876-79-3
Molecular Formula:
C16H16S2
Molecular Weight:
272.4282
IUPAC Name:
phenyl 2,4,6-trimethylbenzenecarbodithioate
InChI:
InChI=1S/C16H16S2/c1-11-9-12(2)15(13(3)10-11)16(17)18-14-7-5-4-6-8-14/h4-10H,1-3H3
InChI Key:
UUNFXZWJURPWOT-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)C(=S)Sc1ccccc1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.424g/mol
Monoisotopic Mass:
272.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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