3-chloro-2-methylthiophene;cyclohexane

C11H17ClS — CID 174875843

IUPAC3-chloro-2-methylthiophene;cyclohexane
SMILESC1CCCCC1.Cc1sccc1Cl
InChIInChI=1S/C6H12.C5H5ClS/c1-2-4-6-5-3-1;1-4-5(6)2-3-7-4/h1-6H2;2-3H,1H3
InChIKeyJJGOMESNDAUJPQ-UHFFFAOYSA-N
MW216.78 g/mol
LogP5.05
Rot. Bonds

About 3-chloro-2-methylthiophene;cyclohexane

3-chloro-2-methylthiophene;cyclohexane (PubChem CID 174875843) has the molecular formula C11H17ClS and a molecular weight of 216.78 g/mol. Its IUPAC name is 3-chloro-2-methylthiophene;cyclohexane.

Molecular Properties

Compound Name3-chloro-2-methylthiophene;cyclohexane
PubChem CID174875843
Molecular FormulaC11H17ClS
Molecular Weight216.78 g/mol
Exact Mass216.07
IUPAC Name3-chloro-2-methylthiophene;cyclohexane
SMILESC1CCCCC1.Cc1sccc1Cl
InChIInChI=1S/C6H12.C5H5ClS/c1-2-4-6-5-3-1;1-4-5(6)2-3-7-4/h1-6H2;2-3H,1H3
InChIKeyJJGOMESNDAUJPQ-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.78
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chlorophenyl)-2-methylthiophene
CID 18933115
3-chloro-2-(2-chlorocycloheptyl)thiophene
CID 107360698
3-chloro-2-[chloro(cyclooctyl)methyl]thiophene
CID 80530285
(3-chlorothiophen-2-yl)-(2-methylthiophen-3-yl)methanamine
CID 102841415
2-(3-chlorothiophen-2-yl)cycloheptan-1-amine
CID 107360705
2,3-dimethylthiophene;ethane
CID 54075062
1-(3-chlorothiophen-2-yl)cycloheptan-1-amine
CID 107359236
1-(3-chlorothiophen-2-yl)cycloheptan-1-ol
CID 107358955
1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine
CID 80529179
(3-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107176625
3-chloro-2-[chloro(cyclobutyl)methyl]thiophene
CID 80530412
3-chloro-2-iodothiophene
CID 19963271

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methylthiophene;cyclohexane?
The IUPAC name of 3-chloro-2-methylthiophene;cyclohexane (CID 174875843) is 3-chloro-2-methylthiophene;cyclohexane.
What is the SMILES notation for 3-chloro-2-methylthiophene;cyclohexane?
The canonical SMILES for 3-chloro-2-methylthiophene;cyclohexane is C1CCCCC1.Cc1sccc1Cl.
What is the InChIKey of 3-chloro-2-methylthiophene;cyclohexane?
The InChIKey is JJGOMESNDAUJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H5ClS/c1-2-4-6-5-3-1;1-4-5(6)2-3-7-4/h1-6H2;2-3H,1H3.
What are the key properties of 3-chloro-2-methylthiophene;cyclohexane?
3-chloro-2-methylthiophene;cyclohexane has a molecular weight of 216.78 g/mol, XLogP of 5.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methylthiophene;cyclohexane is sourced from PubChem (CID 174875843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).