(1S)-3-chloro-1-thiophen-2-ylpropan-1-ol

C7H9ClOS — CID 10236042

IUPAC(1S)-3-chloro-1-thiophen-2-ylpropan-1-ol
SMILESO[C@@H](CCCl)c1cccs1
InChIInChI=1S/C7H9ClOS/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5-6,9H,3-4H2/t6-/m0/s1
InChIKeyYISRPYKYTBBHBK-LURJTMIESA-N
MW176.67 g/mol
LogP2.41
Rot. Bonds3

About (1S)-3-chloro-1-thiophen-2-ylpropan-1-ol

(1S)-3-chloro-1-thiophen-2-ylpropan-1-ol (PubChem CID 10236042) has the molecular formula C7H9ClOS and a molecular weight of 176.67 g/mol. Its IUPAC name is (1S)-3-chloro-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name(1S)-3-chloro-1-thiophen-2-ylpropan-1-ol
PubChem CID10236042
Molecular FormulaC7H9ClOS
Molecular Weight176.67 g/mol
Exact Mass176.01
IUPAC Name(1S)-3-chloro-1-thiophen-2-ylpropan-1-ol
SMILESO[C@@H](CCCl)c1cccs1
InChIInChI=1S/C7H9ClOS/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5-6,9H,3-4H2/t6-/m0/s1
InChIKeyYISRPYKYTBBHBK-LURJTMIESA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.67
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-3-chloro-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of (1S)-3-chloro-1-thiophen-2-ylpropan-1-ol (CID 10236042) is (1S)-3-chloro-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for (1S)-3-chloro-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for (1S)-3-chloro-1-thiophen-2-ylpropan-1-ol is O[C@@H](CCCl)c1cccs1.
What is the InChIKey of (1S)-3-chloro-1-thiophen-2-ylpropan-1-ol?
The InChIKey is YISRPYKYTBBHBK-LURJTMIESA-N. The full InChI is InChI=1S/C7H9ClOS/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5-6,9H,3-4H2/t6-/m0/s1.
What are the key properties of (1S)-3-chloro-1-thiophen-2-ylpropan-1-ol?
(1S)-3-chloro-1-thiophen-2-ylpropan-1-ol has a molecular weight of 176.67 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-chloro-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 10236042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).