4-chloro-1-methyl-2-methylsulfanylbenzene;ethane

C10H15ClS — CID 177366808

IUPAC4-chloro-1-methyl-2-methylsulfanylbenzene;ethane
SMILESCC.CSc1cc(Cl)ccc1C
InChIInChI=1S/C8H9ClS.C2H6/c1-6-3-4-7(9)5-8(6)10-2;1-2/h3-5H,1-2H3;1-2H3
InChIKeyNOILCLXKDOGTRV-UHFFFAOYSA-N
MW202.75 g/mol
LogP4.40
Rot. Bonds1

About 4-chloro-1-methyl-2-methylsulfanylbenzene;ethane

4-chloro-1-methyl-2-methylsulfanylbenzene;ethane (PubChem CID 177366808) has the molecular formula C10H15ClS and a molecular weight of 202.75 g/mol. Its IUPAC name is 4-chloro-1-methyl-2-methylsulfanylbenzene;ethane.

Molecular Properties

Compound Name4-chloro-1-methyl-2-methylsulfanylbenzene;ethane
PubChem CID177366808
Molecular FormulaC10H15ClS
Molecular Weight202.75 g/mol
Exact Mass202.06
IUPAC Name4-chloro-1-methyl-2-methylsulfanylbenzene;ethane
SMILESCC.CSc1cc(Cl)ccc1C
InChIInChI=1S/C8H9ClS.C2H6/c1-6-3-4-7(9)5-8(6)10-2;1-2/h3-5H,1-2H3;1-2H3
InChIKeyNOILCLXKDOGTRV-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.75
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-hydroxysulfanyl-1-methylbenzene
CID 134260443
4-chloro-2-methylsulfanylphenol
CID 13199339
4-chloro-2-methylsulfanylaniline;hydrochloride
CID 122360132
4-chloro-2-methylsulfanylbenzonitrile
CID 19076710
ethane;(4-methyl-3-methylsulfanylphenyl)methanol
CID 143859740
1-chloro-3-(4-chloro-2-methylsulfanylphenyl)propan-2-one
CID 170836881
4-chloro-1-(2-methylprop-1-enyl)-2-methylsulfanylbenzene
CID 142881124
5-chloro-N-methyl-2-methylsulfanylaniline
CID 82264896
(5-chloro-2-methylsulfanylphenyl)methanediol
CID 90940010
1-bromo-2-(4-chloro-2-methylsulfanylphenyl)-3-fluorobenzene
CID 163240684
(5-chloro-2-methylsulfanylphenyl)methanol
CID 83802070
4-chloro-2-methoxy-1-methylbenzene;ethane
CID 143462337

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-2-methylsulfanylbenzene;ethane?
The IUPAC name of 4-chloro-1-methyl-2-methylsulfanylbenzene;ethane (CID 177366808) is 4-chloro-1-methyl-2-methylsulfanylbenzene;ethane.
What is the SMILES notation for 4-chloro-1-methyl-2-methylsulfanylbenzene;ethane?
The canonical SMILES for 4-chloro-1-methyl-2-methylsulfanylbenzene;ethane is CC.CSc1cc(Cl)ccc1C.
What is the InChIKey of 4-chloro-1-methyl-2-methylsulfanylbenzene;ethane?
The InChIKey is NOILCLXKDOGTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClS.C2H6/c1-6-3-4-7(9)5-8(6)10-2;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of 4-chloro-1-methyl-2-methylsulfanylbenzene;ethane?
4-chloro-1-methyl-2-methylsulfanylbenzene;ethane has a molecular weight of 202.75 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-2-methylsulfanylbenzene;ethane is sourced from PubChem (CID 177366808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).