1-chloropentane;sulfurochloridic acid

C5H12Cl2O3S — CID 174930042

IUPAC1-chloropentane;sulfurochloridic acid
SMILESCCCCCCl.O=S(=O)(O)Cl
InChIInChI=1S/C5H11Cl.ClHO3S/c1-2-3-4-5-6;1-5(2,3)4/h2-5H2,1H3;(H,2,3,4)
InChIKeyVFXBXBVPIAXNLA-UHFFFAOYSA-N
MW223.12 g/mol
LogP2.44
Rot. Bonds3

About 1-chloropentane;sulfurochloridic acid

1-chloropentane;sulfurochloridic acid (PubChem CID 174930042) has the molecular formula C5H12Cl2O3S and a molecular weight of 223.12 g/mol. Its IUPAC name is 1-chloropentane;sulfurochloridic acid.

Molecular Properties

Compound Name1-chloropentane;sulfurochloridic acid
PubChem CID174930042
Molecular FormulaC5H12Cl2O3S
Molecular Weight223.12 g/mol
Exact Mass221.99
IUPAC Name1-chloropentane;sulfurochloridic acid
SMILESCCCCCCl.O=S(=O)(O)Cl
InChIInChI=1S/C5H11Cl.ClHO3S/c1-2-3-4-5-6;1-5(2,3)4/h2-5H2,1H3;(H,2,3,4)
InChIKeyVFXBXBVPIAXNLA-UHFFFAOYSA-N
XLogP2.44
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.12
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 174404842
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CID 174813023
1-chloropentane;propan-2-one
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1-chloropentane;oxozinc
CID 175453062
sodium;carbanide;1-chlorododecane
CID 175514406
1-chloropentadecane
CID 20996
1-chlorononane
CID 17185
1-chloropentane;tetracosane
CID 174427484
1-chloropentane;octacosane
CID 174937871
1-chloropentane;ethane
CID 175284520
1-chloropentane;pentadecane
CID 174295582
sulfuric acid;tridecane
CID 91872702

Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;sulfurochloridic acid?
The IUPAC name of 1-chloropentane;sulfurochloridic acid (CID 174930042) is 1-chloropentane;sulfurochloridic acid.
What is the SMILES notation for 1-chloropentane;sulfurochloridic acid?
The canonical SMILES for 1-chloropentane;sulfurochloridic acid is CCCCCCl.O=S(=O)(O)Cl.
What is the InChIKey of 1-chloropentane;sulfurochloridic acid?
The InChIKey is VFXBXBVPIAXNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl.ClHO3S/c1-2-3-4-5-6;1-5(2,3)4/h2-5H2,1H3;(H,2,3,4).
What are the key properties of 1-chloropentane;sulfurochloridic acid?
1-chloropentane;sulfurochloridic acid has a molecular weight of 223.12 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;sulfurochloridic acid is sourced from PubChem (CID 174930042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).