2-(3-chloropropylsulfanyl)acetyl chloride

C5H8Cl2OS — CID 58145853

IUPAC2-(3-chloropropylsulfanyl)acetyl chloride
SMILESO=C(Cl)CSCCCCl
InChIInChI=1S/C5H8Cl2OS/c6-2-1-3-9-4-5(7)8/h1-4H2
InChIKeyPOUWZPUSLOQQKS-UHFFFAOYSA-N
MW187.09 g/mol
LogP2.11
Rot. Bonds5

About 2-(3-chloropropylsulfanyl)acetyl chloride

2-(3-chloropropylsulfanyl)acetyl chloride (PubChem CID 58145853) has the molecular formula C5H8Cl2OS and a molecular weight of 187.09 g/mol. Its IUPAC name is 2-(3-chloropropylsulfanyl)acetyl chloride.

Molecular Properties

Compound Name2-(3-chloropropylsulfanyl)acetyl chloride
PubChem CID58145853
Molecular FormulaC5H8Cl2OS
Molecular Weight187.09 g/mol
Exact Mass185.97
IUPAC Name2-(3-chloropropylsulfanyl)acetyl chloride
SMILESO=C(Cl)CSCCCCl
InChIInChI=1S/C5H8Cl2OS/c6-2-1-3-9-4-5(7)8/h1-4H2
InChIKeyPOUWZPUSLOQQKS-UHFFFAOYSA-N
XLogP2.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.09
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-2-oxoethyl)sulfanylmethylsulfanyl]acetyl chloride
CID 14919867
1-chloro-12-(12-chlorododecylsulfanyl)dodecane
CID 89154844
(2R)-2-amino-4-(3-chloropropylsulfanyl)butanoic acid
CID 87113695
(2S)-2-amino-4-(3-chloropropylsulfanyl)butanoic acid
CID 87113694
2-(methoxymethylsulfanyl)acetyl chloride
CID 21498671
3-hexadecylsulfanylpropanoyl chloride
CID 88764265
2-(2-aminoethyldisulfanyl)ethanamine;4-chlorobutanoyl chloride
CID 175295628
2-[3-[3-[3-(carboxymethylsulfanyl)propylsulfanyl]propylsulfanyl]propylsulfanyl]acetic acid;rhodium-105(3+)
CID 10457749
2-[2-chloro-2-(2-chloro-2-oxoethyl)sulfanylethyl]sulfanylacetyl chloride
CID 54359566
4-chlorobutanoyl chloride;hydroxy(oxo)phosphanium
CID 88813619
2-(6-octylsulfanylhexylsulfanyl)acetic acid
CID 102095686
1,15-dichloropentadecan-8-one
CID 175201480

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropylsulfanyl)acetyl chloride?
The IUPAC name of 2-(3-chloropropylsulfanyl)acetyl chloride (CID 58145853) is 2-(3-chloropropylsulfanyl)acetyl chloride.
What is the SMILES notation for 2-(3-chloropropylsulfanyl)acetyl chloride?
The canonical SMILES for 2-(3-chloropropylsulfanyl)acetyl chloride is O=C(Cl)CSCCCCl.
What is the InChIKey of 2-(3-chloropropylsulfanyl)acetyl chloride?
The InChIKey is POUWZPUSLOQQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2OS/c6-2-1-3-9-4-5(7)8/h1-4H2.
What are the key properties of 2-(3-chloropropylsulfanyl)acetyl chloride?
2-(3-chloropropylsulfanyl)acetyl chloride has a molecular weight of 187.09 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropylsulfanyl)acetyl chloride is sourced from PubChem (CID 58145853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).