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

C7H9ClOS — CID 69099152

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

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

(3S)-3-chloro-3-thiophen-2-ylpropan-1-ol (PubChem CID 69099152) has the molecular formula C7H9ClOS and a molecular weight of 176.67 g/mol. Its IUPAC name is (3S)-3-chloro-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name(3S)-3-chloro-3-thiophen-2-ylpropan-1-ol
PubChem CID69099152
Molecular FormulaC7H9ClOS
Molecular Weight176.67 g/mol
Exact Mass176.01
IUPAC Name(3S)-3-chloro-3-thiophen-2-ylpropan-1-ol
SMILESOCC[C@H](Cl)c1cccs1
InChIInChI=1S/C7H9ClOS/c8-6(3-4-9)7-2-1-5-10-7/h1-2,5-6,9H,3-4H2/t6-/m0/s1
InChIKeyCCDUHCBOQLUTBB-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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Related Compounds

4-chloro-4-thiophen-2-ylbutan-1-ol
CID 82366969
(3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 89397451
2-(1-chloro-3-methylbutyl)thiophene
CID 61085151
3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol
CID 82082551
2-[1-(2-chloro-2-thiophen-2-ylethyl)piperidin-2-yl]ethanol
CID 82215012
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
(1S)-2-chloro-1-thiophen-2-ylethanol
CID 15981658
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
(3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol
CID 103871621
3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol
CID 115888558
1-thiophen-2-ylpropane-1,2,3-triol
CID 59769549
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185

Frequently Asked Questions

What is the IUPAC name of (3S)-3-chloro-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of (3S)-3-chloro-3-thiophen-2-ylpropan-1-ol (CID 69099152) is (3S)-3-chloro-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for (3S)-3-chloro-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for (3S)-3-chloro-3-thiophen-2-ylpropan-1-ol is OCC[C@H](Cl)c1cccs1.
What is the InChIKey of (3S)-3-chloro-3-thiophen-2-ylpropan-1-ol?
The InChIKey is CCDUHCBOQLUTBB-LURJTMIESA-N. The full InChI is InChI=1S/C7H9ClOS/c8-6(3-4-9)7-2-1-5-10-7/h1-2,5-6,9H,3-4H2/t6-/m0/s1.
What are the key properties of (3S)-3-chloro-3-thiophen-2-ylpropan-1-ol?
(3S)-3-chloro-3-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 (3S)-3-chloro-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 69099152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).