4-(3-chloro-5-methylphenyl)sulfanyl-2,2,3-trifluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol;ethane

C19H20ClF3OS2 — CID 145281007

IUPAC4-(3-chloro-5-methylphenyl)sulfanyl-2,2,3-trifluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol;ethane
SMILESCC.CSc1ccc(Sc2cc(C)cc(Cl)c2)c2c1C(O)C(F)(F)C2F
InChIInChI=1S/C17H14ClF3OS2.C2H6/c1-8-5-9(18)7-10(6-8)24-12-4-3-11(23-2)14-13(12)15(19)17(20,21)16(14)22;1-2/h3-7,15-16,22H,1-2H3;1-2H3
InChIKeyVXWBDNCBADJOAP-UHFFFAOYSA-N
MW420.95 g/mol
LogP7.24
Rot. Bonds3

About 4-(3-chloro-5-methylphenyl)sulfanyl-2,2,3-trifluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol;ethane

4-(3-chloro-5-methylphenyl)sulfanyl-2,2,3-trifluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol;ethane (PubChem CID 145281007) has the molecular formula C19H20ClF3OS2 and a molecular weight of 420.95 g/mol. Its IUPAC name is 4-(3-chloro-5-methylphenyl)sulfanyl-2,2,3-trifluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol;ethane.

Molecular Properties

Compound Name4-(3-chloro-5-methylphenyl)sulfanyl-2,2,3-trifluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol;ethane
PubChem CID145281007
Molecular FormulaC19H20ClF3OS2
Molecular Weight420.95 g/mol
Exact Mass420.06
IUPAC Name4-(3-chloro-5-methylphenyl)sulfanyl-2,2,3-trifluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol;ethane
SMILESCC.CSc1ccc(Sc2cc(C)cc(Cl)c2)c2c1C(O)C(F)(F)C2F
InChIInChI=1S/C17H14ClF3OS2.C2H6/c1-8-5-9(18)7-10(6-8)24-12-4-3-11(23-2)14-13(12)15(19)17(20,21)16(14)22;1-2/h3-7,15-16,22H,1-2H3;1-2H3
InChIKeyVXWBDNCBADJOAP-UHFFFAOYSA-N
XLogP7.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.95
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-chloro-5-methylphenyl)sulfanyl-2,2,3-trifluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol;ethane with MolForge

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Related Compounds

(1S,3R)-4-(3-chlorophenyl)sulfanyl-2,2,3-trifluoro-7-methyl-1,3-dihydroinden-1-ol
CID 126739641
1-chloro-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene
CID 102434842
1-(3-chloro-5-methylphenyl)sulfanylazetidine-3-carboxylic acid
CID 166938658
1-(2-chlorophenyl)sulfanyl-3,5-dimethylbenzene
CID 12026855
2-(4-chlorophenyl)sulfanyl-4-methylphenol
CID 21411344
4-chloro-1-methyl-2-methylsulfanylbenzene;ethane
CID 177366808
(5-chloro-2-methylsulfanylphenyl)hydrazine;hydrochloride
CID 69183681
1,3-dichloro-5-(2-chlorophenyl)sulfanylbenzene
CID 100989266
1-chloro-3-methyl-5-phenylbenzene;ethane
CID 143782366
1,3-bis[(3,5-dimethylphenyl)sulfanyl]-5-methylbenzene
CID 58611442
4-chloro-1-(2-methylprop-1-enyl)-2-methylsulfanylbenzene
CID 142881124
5-chloro-N-methyl-2-methylsulfanylaniline
CID 82264896

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-methylphenyl)sulfanyl-2,2,3-trifluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol;ethane?
The IUPAC name of 4-(3-chloro-5-methylphenyl)sulfanyl-2,2,3-trifluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol;ethane (CID 145281007) is 4-(3-chloro-5-methylphenyl)sulfanyl-2,2,3-trifluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol;ethane.
What is the SMILES notation for 4-(3-chloro-5-methylphenyl)sulfanyl-2,2,3-trifluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol;ethane?
The canonical SMILES for 4-(3-chloro-5-methylphenyl)sulfanyl-2,2,3-trifluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol;ethane is CC.CSc1ccc(Sc2cc(C)cc(Cl)c2)c2c1C(O)C(F)(F)C2F.
What is the InChIKey of 4-(3-chloro-5-methylphenyl)sulfanyl-2,2,3-trifluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol;ethane?
The InChIKey is VXWBDNCBADJOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3OS2.C2H6/c1-8-5-9(18)7-10(6-8)24-12-4-3-11(23-2)14-13(12)15(19)17(20,21)16(14)22;1-2/h3-7,15-16,22H,1-2H3;1-2H3.
What are the key properties of 4-(3-chloro-5-methylphenyl)sulfanyl-2,2,3-trifluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol;ethane?
4-(3-chloro-5-methylphenyl)sulfanyl-2,2,3-trifluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol;ethane has a molecular weight of 420.95 g/mol, XLogP of 7.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-methylphenyl)sulfanyl-2,2,3-trifluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol;ethane is sourced from PubChem (CID 145281007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).