1-chloro-1-ethylsulfanylpropan-2-ol

C5H11ClOS — CID 88766616

IUPAC1-chloro-1-ethylsulfanylpropan-2-ol
SMILESCCSC(Cl)C(C)O
InChIInChI=1S/C5H11ClOS/c1-3-8-5(6)4(2)7/h4-5,7H,3H2,1-2H3
InChIKeyYVDWCOALWOKGCR-UHFFFAOYSA-N
MW154.66 g/mol
LogP1.69
Rot. Bonds3

About 1-chloro-1-ethylsulfanylpropan-2-ol

1-chloro-1-ethylsulfanylpropan-2-ol (PubChem CID 88766616) has the molecular formula C5H11ClOS and a molecular weight of 154.66 g/mol. Its IUPAC name is 1-chloro-1-ethylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-chloro-1-ethylsulfanylpropan-2-ol
PubChem CID88766616
Molecular FormulaC5H11ClOS
Molecular Weight154.66 g/mol
Exact Mass154.02
IUPAC Name1-chloro-1-ethylsulfanylpropan-2-ol
SMILESCCSC(Cl)C(C)O
InChIInChI=1S/C5H11ClOS/c1-3-8-5(6)4(2)7/h4-5,7H,3H2,1-2H3
InChIKeyYVDWCOALWOKGCR-UHFFFAOYSA-N
XLogP1.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.66
LogP ≤ 51.69
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 1-chloro-1-ethylsulfanylpropan-2-ol?
The IUPAC name of 1-chloro-1-ethylsulfanylpropan-2-ol (CID 88766616) is 1-chloro-1-ethylsulfanylpropan-2-ol.
What is the SMILES notation for 1-chloro-1-ethylsulfanylpropan-2-ol?
The canonical SMILES for 1-chloro-1-ethylsulfanylpropan-2-ol is CCSC(Cl)C(C)O.
What is the InChIKey of 1-chloro-1-ethylsulfanylpropan-2-ol?
The InChIKey is YVDWCOALWOKGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClOS/c1-3-8-5(6)4(2)7/h4-5,7H,3H2,1-2H3.
What are the key properties of 1-chloro-1-ethylsulfanylpropan-2-ol?
1-chloro-1-ethylsulfanylpropan-2-ol has a molecular weight of 154.66 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-ethylsulfanylpropan-2-ol is sourced from PubChem (CID 88766616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).