propyl thiohypochlorite

C3H7ClS — CID 12535950

IUPACpropyl thiohypochlorite
SMILESCCCSCl
InChIInChI=1S/C3H7ClS/c1-2-3-5-4/h2-3H2,1H3
InChIKeyDNAHRRFQXGRERW-UHFFFAOYSA-N
MW110.61 g/mol
LogP2.28
Rot. Bonds2

About propyl thiohypochlorite

propyl thiohypochlorite (PubChem CID 12535950) has the molecular formula C3H7ClS and a molecular weight of 110.61 g/mol. Its IUPAC name is propyl thiohypochlorite.

Molecular Properties

Compound Namepropyl thiohypochlorite
PubChem CID12535950
Molecular FormulaC3H7ClS
Molecular Weight110.61 g/mol
Exact Mass110.00
IUPAC Namepropyl thiohypochlorite
SMILESCCCSCl
InChIInChI=1S/C3H7ClS/c1-2-3-5-4/h2-3H2,1H3
InChIKeyDNAHRRFQXGRERW-UHFFFAOYSA-N
XLogP2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.61
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Mercury, chloro(ethanethiolato)-
CID 74512
1-Propanethiol, sodium salt (1:1)
CID 4681725
Sodium 2-propanethiolate
CID 3470666
Propylthio radical
CID 138398
1-Butanesulfenyl chloride
CID 10855449
Isopropyl sulphenyl chloride
CID 11116012
Ethanesulfenyl chloride
CID 12275523
Thiopropoxide
CID 21633594
Propanethial
CID 138345
Lithium propanethiolate
CID 10909481
Propylthiophosphorus chloride
CID 13354512
Butan-2-yl thiohypochlorite
CID 14116472

Frequently Asked Questions

What is the IUPAC name of propyl thiohypochlorite?
The IUPAC name of propyl thiohypochlorite (CID 12535950) is propyl thiohypochlorite.
What is the SMILES notation for propyl thiohypochlorite?
The canonical SMILES for propyl thiohypochlorite is CCCSCl.
What is the InChIKey of propyl thiohypochlorite?
The InChIKey is DNAHRRFQXGRERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClS/c1-2-3-5-4/h2-3H2,1H3.
What are the key properties of propyl thiohypochlorite?
propyl thiohypochlorite has a molecular weight of 110.61 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propyl thiohypochlorite is sourced from PubChem (CID 12535950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).