1-(2-chlorothiophen-3-yl)hexane-1,2-diol

C10H15ClO2S — CID 174227859

IUPAC1-(2-chlorothiophen-3-yl)hexane-1,2-diol
SMILESCCCCC(O)C(O)c1ccsc1Cl
InChIInChI=1S/C10H15ClO2S/c1-2-3-4-8(12)9(13)7-5-6-14-10(7)11/h5-6,8-9,12-13H,2-4H2,1H3
InChIKeyDHOLTWZDSGDFRW-UHFFFAOYSA-N
MW234.75 g/mol
LogP2.99
Rot. Bonds5

About 1-(2-chlorothiophen-3-yl)hexane-1,2-diol

1-(2-chlorothiophen-3-yl)hexane-1,2-diol (PubChem CID 174227859) has the molecular formula C10H15ClO2S and a molecular weight of 234.75 g/mol. Its IUPAC name is 1-(2-chlorothiophen-3-yl)hexane-1,2-diol.

Molecular Properties

Compound Name1-(2-chlorothiophen-3-yl)hexane-1,2-diol
PubChem CID174227859
Molecular FormulaC10H15ClO2S
Molecular Weight234.75 g/mol
Exact Mass234.05
IUPAC Name1-(2-chlorothiophen-3-yl)hexane-1,2-diol
SMILESCCCCC(O)C(O)c1ccsc1Cl
InChIInChI=1S/C10H15ClO2S/c1-2-3-4-8(12)9(13)7-5-6-14-10(7)11/h5-6,8-9,12-13H,2-4H2,1H3
InChIKeyDHOLTWZDSGDFRW-UHFFFAOYSA-N
XLogP2.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.75
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorothiophen-3-yl)hexane-1,2-diol?
The IUPAC name of 1-(2-chlorothiophen-3-yl)hexane-1,2-diol (CID 174227859) is 1-(2-chlorothiophen-3-yl)hexane-1,2-diol.
What is the SMILES notation for 1-(2-chlorothiophen-3-yl)hexane-1,2-diol?
The canonical SMILES for 1-(2-chlorothiophen-3-yl)hexane-1,2-diol is CCCCC(O)C(O)c1ccsc1Cl.
What is the InChIKey of 1-(2-chlorothiophen-3-yl)hexane-1,2-diol?
The InChIKey is DHOLTWZDSGDFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO2S/c1-2-3-4-8(12)9(13)7-5-6-14-10(7)11/h5-6,8-9,12-13H,2-4H2,1H3.
What are the key properties of 1-(2-chlorothiophen-3-yl)hexane-1,2-diol?
1-(2-chlorothiophen-3-yl)hexane-1,2-diol has a molecular weight of 234.75 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorothiophen-3-yl)hexane-1,2-diol is sourced from PubChem (CID 174227859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).