1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene

C15H19ClS2 — CID 160826513

IUPAC1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene
SMILESC.CSc1ccc(Cl)cc1.CSc1ccccc1
InChIInChI=1S/C7H7ClS.C7H8S.CH4/c1-9-7-4-2-6(8)3-5-7;1-8-7-5-3-2-4-6-7;/h2-5H,1H3;2-6H,1H3;1H4
InChIKeySGGAEBMOXBEIEC-UHFFFAOYSA-N
MW298.90 g/mol
LogP6.11
Rot. Bonds2

About 1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene

1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene (PubChem CID 160826513) has the molecular formula C15H19ClS2 and a molecular weight of 298.90 g/mol. Its IUPAC name is 1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene.

Molecular Properties

Compound Name1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene
PubChem CID160826513
Molecular FormulaC15H19ClS2
Molecular Weight298.90 g/mol
Exact Mass298.06
IUPAC Name1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene
SMILESC.CSc1ccc(Cl)cc1.CSc1ccccc1
InChIInChI=1S/C7H7ClS.C7H8S.CH4/c1-9-7-4-2-6(8)3-5-7;1-8-7-5-3-2-4-6-7;/h2-5H,1H3;2-6H,1H3;1H4
InChIKeySGGAEBMOXBEIEC-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.90
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

hydrogen peroxide;methylsulfanylbenzene
CID 87661079
chlorobenzene;methylsulfanyloxysulfanylmethane
CID 175343732
methane;methylsulfanylbenzene;[methylsulfanyl(phenyl)methyl]benzene
CID 159307359
N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 43107996
benzenethiol;ethane;methylsulfanylbenzene
CID 145032144
1-methylsulfanyl-4-phenylsulfanylbenzene;4-phenylsulfanylbenzenethiol
CID 67629763
1-chloro-2-(4-methylsulfanylphenoxy)benzene
CID 141024023
1-chloro-2-(4-methylsulfanylphenyl)benzene
CID 123340563
(4-methylsulfanylphenyl)-phenyldiazene
CID 23247472
1-benzyl-4-methylsulfanylbenzene
CID 23524923
2-(4-chlorophenyl)-2-hydroxy-1-(4-methylsulfanylphenyl)ethanone
CID 54303142
1,4-bis(methylsulfanyl)benzene;methanol
CID 143321779

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene?
The IUPAC name of 1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene (CID 160826513) is 1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene.
What is the SMILES notation for 1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene?
The canonical SMILES for 1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene is C.CSc1ccc(Cl)cc1.CSc1ccccc1.
What is the InChIKey of 1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene?
The InChIKey is SGGAEBMOXBEIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClS.C7H8S.CH4/c1-9-7-4-2-6(8)3-5-7;1-8-7-5-3-2-4-6-7;/h2-5H,1H3;2-6H,1H3;1H4.
What are the key properties of 1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene?
1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene has a molecular weight of 298.90 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene is sourced from PubChem (CID 160826513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).