2-chloro-5-(2-methylsulfanylbutyl)thiophene

C9H13ClS2 — CID 54222118

IUPAC2-chloro-5-(2-methylsulfanylbutyl)thiophene
SMILESCCC(Cc1ccc(Cl)s1)SC
InChIInChI=1S/C9H13ClS2/c1-3-7(11-2)6-8-4-5-9(10)12-8/h4-5,7H,3,6H2,1-2H3
InChIKeyGNCDLUIXZHFPKT-UHFFFAOYSA-N
MW220.79 g/mol
LogP4.09
Rot. Bonds4

About 2-chloro-5-(2-methylsulfanylbutyl)thiophene

2-chloro-5-(2-methylsulfanylbutyl)thiophene (PubChem CID 54222118) has the molecular formula C9H13ClS2 and a molecular weight of 220.79 g/mol. Its IUPAC name is 2-chloro-5-(2-methylsulfanylbutyl)thiophene.

Molecular Properties

Compound Name2-chloro-5-(2-methylsulfanylbutyl)thiophene
PubChem CID54222118
Molecular FormulaC9H13ClS2
Molecular Weight220.79 g/mol
Exact Mass220.01
IUPAC Name2-chloro-5-(2-methylsulfanylbutyl)thiophene
SMILESCCC(Cc1ccc(Cl)s1)SC
InChIInChI=1S/C9H13ClS2/c1-3-7(11-2)6-8-4-5-9(10)12-8/h4-5,7H,3,6H2,1-2H3
InChIKeyGNCDLUIXZHFPKT-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.79
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
CID 170888362
1-(5-chlorothiophen-2-yl)-3-ethyl-N-methylpentan-2-amine
CID 115841703
1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol
CID 62691720
2-chloro-5-[(Z)-2-methylhex-3-enyl]thiophene
CID 83934918
1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine
CID 63560615
1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine
CID 65128398
[1-(5-chlorothiophen-2-yl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 105295965
2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine
CID 55095727
1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine
CID 62600562
3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 115841552
ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 62962765
[1-(5-chlorothiophen-2-yl)-3-methylbutan-2-yl]hydrazine
CID 105199674

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methylsulfanylbutyl)thiophene?
The IUPAC name of 2-chloro-5-(2-methylsulfanylbutyl)thiophene (CID 54222118) is 2-chloro-5-(2-methylsulfanylbutyl)thiophene.
What is the SMILES notation for 2-chloro-5-(2-methylsulfanylbutyl)thiophene?
The canonical SMILES for 2-chloro-5-(2-methylsulfanylbutyl)thiophene is CCC(Cc1ccc(Cl)s1)SC.
What is the InChIKey of 2-chloro-5-(2-methylsulfanylbutyl)thiophene?
The InChIKey is GNCDLUIXZHFPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClS2/c1-3-7(11-2)6-8-4-5-9(10)12-8/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 2-chloro-5-(2-methylsulfanylbutyl)thiophene?
2-chloro-5-(2-methylsulfanylbutyl)thiophene has a molecular weight of 220.79 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methylsulfanylbutyl)thiophene is sourced from PubChem (CID 54222118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).