chloro(thiolan-3-yl)methanesulfonyl chloride

C5H8Cl2O2S2 — CID 105495676

IUPACchloro(thiolan-3-yl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)C(Cl)C1CCSC1
InChIInChI=1S/C5H8Cl2O2S2/c6-5(11(7,8)9)4-1-2-10-3-4/h4-5H,1-3H2
InChIKeyCXKQZXOUGAKEBB-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.87
Rot. Bonds2

About chloro(thiolan-3-yl)methanesulfonyl chloride

chloro(thiolan-3-yl)methanesulfonyl chloride (PubChem CID 105495676) has the molecular formula C5H8Cl2O2S2 and a molecular weight of 235.16 g/mol. Its IUPAC name is chloro(thiolan-3-yl)methanesulfonyl chloride.

Molecular Properties

Compound Namechloro(thiolan-3-yl)methanesulfonyl chloride
PubChem CID105495676
Molecular FormulaC5H8Cl2O2S2
Molecular Weight235.16 g/mol
Exact Mass233.93
IUPAC Namechloro(thiolan-3-yl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)C(Cl)C1CCSC1
InChIInChI=1S/C5H8Cl2O2S2/c6-5(11(7,8)9)4-1-2-10-3-4/h4-5H,1-3H2
InChIKeyCXKQZXOUGAKEBB-UHFFFAOYSA-N
XLogP1.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

chloro(cyclohexyl)methanesulfonyl chloride
CID 105488887
2-chloro-2-(thiolan-3-yl)acetonitrile
CID 107133436
2-chloro-N-cyclopentyl-2-(thiolan-3-yl)acetamide
CID 107133565
3-methylsulfonyl-2-(thiolan-3-yl)propan-1-ol
CID 117237716
1-(thiolan-3-yl)prop-2-enylhydrazine
CID 105318136
N-ethyl-3-methylsulfonyl-1-(thiolan-3-yl)propan-1-amine
CID 114984200
2-cyclopropyl-1-(thiolan-3-yl)ethanamine
CID 105152914
3-(1-bromopropan-2-yl)thiolane
CID 165442425
3-(1-chloro-4-methylpentan-2-yl)thiolane
CID 165443604
methyl 2-(thiolan-3-yl)propanoate
CID 176838406
(4-methylcyclohexyl)-(thiolan-3-yl)methanamine
CID 105153829
2-(thiolan-3-yl)butan-1-amine
CID 82596112

Frequently Asked Questions

What is the IUPAC name of chloro(thiolan-3-yl)methanesulfonyl chloride?
The IUPAC name of chloro(thiolan-3-yl)methanesulfonyl chloride (CID 105495676) is chloro(thiolan-3-yl)methanesulfonyl chloride.
What is the SMILES notation for chloro(thiolan-3-yl)methanesulfonyl chloride?
The canonical SMILES for chloro(thiolan-3-yl)methanesulfonyl chloride is O=S(=O)(Cl)C(Cl)C1CCSC1.
What is the InChIKey of chloro(thiolan-3-yl)methanesulfonyl chloride?
The InChIKey is CXKQZXOUGAKEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2O2S2/c6-5(11(7,8)9)4-1-2-10-3-4/h4-5H,1-3H2.
What are the key properties of chloro(thiolan-3-yl)methanesulfonyl chloride?
chloro(thiolan-3-yl)methanesulfonyl chloride has a molecular weight of 235.16 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(thiolan-3-yl)methanesulfonyl chloride is sourced from PubChem (CID 105495676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).