4-aminobutane-1-sulfinyl chloride

C4H10ClNOS — CID 134994658

IUPAC4-aminobutane-1-sulfinyl chloride
SMILESNCCCCS(=O)Cl
InChIInChI=1S/C4H10ClNOS/c5-8(7)4-2-1-3-6/h1-4,6H2
InChIKeyLHAYFWMLKZZHNK-UHFFFAOYSA-N
MW155.65 g/mol
LogP0.63
Rot. Bonds4

About 4-aminobutane-1-sulfinyl chloride

4-aminobutane-1-sulfinyl chloride (PubChem CID 134994658) has the molecular formula C4H10ClNOS and a molecular weight of 155.65 g/mol. Its IUPAC name is 4-aminobutane-1-sulfinyl chloride.

Molecular Properties

Compound Name4-aminobutane-1-sulfinyl chloride
PubChem CID134994658
Molecular FormulaC4H10ClNOS
Molecular Weight155.65 g/mol
Exact Mass155.02
IUPAC Name4-aminobutane-1-sulfinyl chloride
SMILESNCCCCS(=O)Cl
InChIInChI=1S/C4H10ClNOS/c5-8(7)4-2-1-3-6/h1-4,6H2
InChIKeyLHAYFWMLKZZHNK-UHFFFAOYSA-N
XLogP0.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.65
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-aminobutane-1-sulfinyl chloride?
The IUPAC name of 4-aminobutane-1-sulfinyl chloride (CID 134994658) is 4-aminobutane-1-sulfinyl chloride.
What is the SMILES notation for 4-aminobutane-1-sulfinyl chloride?
The canonical SMILES for 4-aminobutane-1-sulfinyl chloride is NCCCCS(=O)Cl.
What is the InChIKey of 4-aminobutane-1-sulfinyl chloride?
The InChIKey is LHAYFWMLKZZHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNOS/c5-8(7)4-2-1-3-6/h1-4,6H2.
What are the key properties of 4-aminobutane-1-sulfinyl chloride?
4-aminobutane-1-sulfinyl chloride has a molecular weight of 155.65 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutane-1-sulfinyl chloride is sourced from PubChem (CID 134994658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).