1-chlorosulfinyloxybutane

C4H9ClO2S — CID 23270425

IUPAC1-chlorosulfinyloxybutane
SMILESCCCCOS(=O)Cl
InChIInChI=1S/C4H9ClO2S/c1-2-3-4-7-8(5)6/h2-4H2,1H3
InChIKeySMBCCRRPZMKSML-UHFFFAOYSA-N
MW156.63 g/mol
LogP1.62
Rot. Bonds4

About 1-chlorosulfinyloxybutane

1-chlorosulfinyloxybutane (PubChem CID 23270425) has the molecular formula C4H9ClO2S and a molecular weight of 156.63 g/mol. Its IUPAC name is 1-chlorosulfinyloxybutane.

Molecular Properties

Compound Name1-chlorosulfinyloxybutane
PubChem CID23270425
Molecular FormulaC4H9ClO2S
Molecular Weight156.63 g/mol
Exact Mass156.00
IUPAC Name1-chlorosulfinyloxybutane
SMILESCCCCOS(=O)Cl
InChIInChI=1S/C4H9ClO2S/c1-2-3-4-7-8(5)6/h2-4H2,1H3
InChIKeySMBCCRRPZMKSML-UHFFFAOYSA-N
XLogP1.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.63
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dipropyl Sulfite
CID 136434
Butyl sulfite
CID 69384
Butyl sulfate
CID 4437320
Butyl ethyl sulfate
CID 79979
Butyl sulfurochloridate
CID 13310121
CID 14381799
CID 14381799
Pentyl chlorosulfate
CID 18520026
Methyl n-butyl sulfate
CID 23311669
CID 57247159
CID 57247159
Pentyl sulfurochloridoite
CID 71389966
n-Butylchlorate
CID 129728781
Methyl pentyl sulfite
CID 81426

Frequently Asked Questions

What is the IUPAC name of 1-chlorosulfinyloxybutane?
The IUPAC name of 1-chlorosulfinyloxybutane (CID 23270425) is 1-chlorosulfinyloxybutane.
What is the SMILES notation for 1-chlorosulfinyloxybutane?
The canonical SMILES for 1-chlorosulfinyloxybutane is CCCCOS(=O)Cl.
What is the InChIKey of 1-chlorosulfinyloxybutane?
The InChIKey is SMBCCRRPZMKSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClO2S/c1-2-3-4-7-8(5)6/h2-4H2,1H3.
What are the key properties of 1-chlorosulfinyloxybutane?
1-chlorosulfinyloxybutane has a molecular weight of 156.63 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorosulfinyloxybutane is sourced from PubChem (CID 23270425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).