1-chloro-2-(methylsulfanylmethyl)benzene;ethane

C10H15ClS — CID 162765163

IUPAC1-chloro-2-(methylsulfanylmethyl)benzene;ethane
SMILESCC.CSCc1ccccc1Cl
InChIInChI=1S/C8H9ClS.C2H6/c1-10-6-7-4-2-3-5-8(7)9;1-2/h2-5H,6H2,1H3;1-2H3
InChIKeyAATXRWBYBLJWLV-UHFFFAOYSA-N
MW202.75 g/mol
LogP4.23
Rot. Bonds2

About 1-chloro-2-(methylsulfanylmethyl)benzene;ethane

1-chloro-2-(methylsulfanylmethyl)benzene;ethane (PubChem CID 162765163) has the molecular formula C10H15ClS and a molecular weight of 202.75 g/mol. Its IUPAC name is 1-chloro-2-(methylsulfanylmethyl)benzene;ethane.

Molecular Properties

Compound Name1-chloro-2-(methylsulfanylmethyl)benzene;ethane
PubChem CID162765163
Molecular FormulaC10H15ClS
Molecular Weight202.75 g/mol
Exact Mass202.06
IUPAC Name1-chloro-2-(methylsulfanylmethyl)benzene;ethane
SMILESCC.CSCc1ccccc1Cl
InChIInChI=1S/C8H9ClS.C2H6/c1-10-6-7-4-2-3-5-8(7)9;1-2/h2-5H,6H2,1H3;1-2H3
InChIKeyAATXRWBYBLJWLV-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.75
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethynyl-2-(methylsulfanylmethyl)benzene
CID 129210852
1-chloro-2-(2-methylsulfanylethoxymethyl)benzene
CID 104863774
3-chloro-4-(methylsulfanylmethyl)pyridine
CID 126992001
2-(2-chlorophenyl)ethanol;ethane
CID 142279480
1-[[2-(bromomethyl)-3,3-dimethylbutyl]sulfanylmethyl]-2-chlorobenzene
CID 103288088
S-[(2-chlorophenyl)methyl] carbamothioate
CID 174461551
ethane;2-(methylsulfanylmethyl)benzoic acid
CID 145108168
[2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylphenyl]methanamine
CID 103288923
3-[(2-chlorophenyl)methylsulfanyl]butanenitrile
CID 103288480
2-[(2-chlorophenyl)methylsulfanyl]-2-methylpropanoic acid
CID 79015641
3-[(2-chlorophenyl)methylsulfanyl]-2-methylpropan-1-amine
CID 66226526
1-[2-(bromomethyl)pentylsulfanylmethyl]-2-chlorobenzene
CID 103288085

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(methylsulfanylmethyl)benzene;ethane?
The IUPAC name of 1-chloro-2-(methylsulfanylmethyl)benzene;ethane (CID 162765163) is 1-chloro-2-(methylsulfanylmethyl)benzene;ethane.
What is the SMILES notation for 1-chloro-2-(methylsulfanylmethyl)benzene;ethane?
The canonical SMILES for 1-chloro-2-(methylsulfanylmethyl)benzene;ethane is CC.CSCc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(methylsulfanylmethyl)benzene;ethane?
The InChIKey is AATXRWBYBLJWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClS.C2H6/c1-10-6-7-4-2-3-5-8(7)9;1-2/h2-5H,6H2,1H3;1-2H3.
What are the key properties of 1-chloro-2-(methylsulfanylmethyl)benzene;ethane?
1-chloro-2-(methylsulfanylmethyl)benzene;ethane has a molecular weight of 202.75 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(methylsulfanylmethyl)benzene;ethane is sourced from PubChem (CID 162765163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).