butane-1-sulfinyl chloride

C4H9ClOS — CID 11073517

IUPACbutane-1-sulfinyl chloride
SMILESCCCCS(=O)Cl
InChIInChI=1S/C4H9ClOS/c1-2-3-4-7(5)6/h2-4H2,1H3
InChIKeyLTQJJIHJWKUKKQ-UHFFFAOYSA-N
MW140.64 g/mol
LogP1.69
Rot. Bonds3

About butane-1-sulfinyl chloride

butane-1-sulfinyl chloride (PubChem CID 11073517) has the molecular formula C4H9ClOS and a molecular weight of 140.64 g/mol. Its IUPAC name is butane-1-sulfinyl chloride.

Molecular Properties

Compound Namebutane-1-sulfinyl chloride
PubChem CID11073517
Molecular FormulaC4H9ClOS
Molecular Weight140.64 g/mol
Exact Mass140.01
IUPAC Namebutane-1-sulfinyl chloride
SMILESCCCCS(=O)Cl
InChIInChI=1S/C4H9ClOS/c1-2-3-4-7(5)6/h2-4H2,1H3
InChIKeyLTQJJIHJWKUKKQ-UHFFFAOYSA-N
XLogP1.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.64
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butane-1-sulfinyl chloride?
The IUPAC name of butane-1-sulfinyl chloride (CID 11073517) is butane-1-sulfinyl chloride.
What is the SMILES notation for butane-1-sulfinyl chloride?
The canonical SMILES for butane-1-sulfinyl chloride is CCCCS(=O)Cl.
What is the InChIKey of butane-1-sulfinyl chloride?
The InChIKey is LTQJJIHJWKUKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClOS/c1-2-3-4-7(5)6/h2-4H2,1H3.
What are the key properties of butane-1-sulfinyl chloride?
butane-1-sulfinyl chloride has a molecular weight of 140.64 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1-sulfinyl chloride is sourced from PubChem (CID 11073517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).