5-chloro-2-methyl-1-benzothiophene;ethane;propane

C14H21ClS — CID 142538359

IUPAC5-chloro-2-methyl-1-benzothiophene;ethane;propane
SMILESCC.CCC.Cc1cc2cc(Cl)ccc2s1
InChIInChI=1S/C9H7ClS.C3H8.C2H6/c1-6-4-7-5-8(10)2-3-9(7)11-6;1-3-2;1-2/h2-5H,1H3;3H2,1-2H3;1-2H3
InChIKeyWMAFDPYRLUGHBO-UHFFFAOYSA-N
MW256.84 g/mol
LogP6.31
Rot. Bonds

About 5-chloro-2-methyl-1-benzothiophene;ethane;propane

5-chloro-2-methyl-1-benzothiophene;ethane;propane (PubChem CID 142538359) has the molecular formula C14H21ClS and a molecular weight of 256.84 g/mol. Its IUPAC name is 5-chloro-2-methyl-1-benzothiophene;ethane;propane.

Molecular Properties

Compound Name5-chloro-2-methyl-1-benzothiophene;ethane;propane
PubChem CID142538359
Molecular FormulaC14H21ClS
Molecular Weight256.84 g/mol
Exact Mass256.11
IUPAC Name5-chloro-2-methyl-1-benzothiophene;ethane;propane
SMILESCC.CCC.Cc1cc2cc(Cl)ccc2s1
InChIInChI=1S/C9H7ClS.C3H8.C2H6/c1-6-4-7-5-8(10)2-3-9(7)11-6;1-3-2;1-2/h2-5H,1H3;3H2,1-2H3;1-2H3
InChIKeyWMAFDPYRLUGHBO-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.84
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-methyl-1-benzothiophene
CID 2747689
(5-chloro-1-benzothiophen-2-yl)methanol
CID 23340421
5-chloro-2-(2,2-dimethylpropyl)-1-benzothiophene
CID 58689208
ethane;methylidenevanadium;2-methyl-5-propoxy-1-benzothiophene
CID 143693088
6-chloro-2-methylthiochromen-4-one
CID 2810162
2-(5-chloro-1-benzothiophen-2-yl)propan-2-ol
CID 117121243
1-(5-chloro-1-benzothiophen-2-yl)propan-2-amine
CID 82662571
6-chloro-5-fluoro-2-methyl-1-benzothiophene
CID 20759995
trimethyl-(2-methyl-1-benzothiophen-5-yl)silane
CID 170780872
2-(5-chloro-1-benzothiophen-2-yl)acetonitrile
CID 15155567
2-methyl-5-(trifluoromethyl)-1-benzothiophene
CID 58242584
5-chloro-7-ethoxy-2-methyl-1-benzothiophene
CID 130803709

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-1-benzothiophene;ethane;propane?
The IUPAC name of 5-chloro-2-methyl-1-benzothiophene;ethane;propane (CID 142538359) is 5-chloro-2-methyl-1-benzothiophene;ethane;propane.
What is the SMILES notation for 5-chloro-2-methyl-1-benzothiophene;ethane;propane?
The canonical SMILES for 5-chloro-2-methyl-1-benzothiophene;ethane;propane is CC.CCC.Cc1cc2cc(Cl)ccc2s1.
What is the InChIKey of 5-chloro-2-methyl-1-benzothiophene;ethane;propane?
The InChIKey is WMAFDPYRLUGHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClS.C3H8.C2H6/c1-6-4-7-5-8(10)2-3-9(7)11-6;1-3-2;1-2/h2-5H,1H3;3H2,1-2H3;1-2H3.
What are the key properties of 5-chloro-2-methyl-1-benzothiophene;ethane;propane?
5-chloro-2-methyl-1-benzothiophene;ethane;propane has a molecular weight of 256.84 g/mol, XLogP of 6.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-1-benzothiophene;ethane;propane is sourced from PubChem (CID 142538359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).