benzyl thiohypochlorite

C7H7ClS — CID 11332618

IUPACbenzyl thiohypochlorite
SMILESClSCc1ccccc1
InChIInChI=1S/C7H7ClS/c8-9-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyIIQFIDKGTDXLBU-UHFFFAOYSA-N
MW158.65 g/mol
LogP3.07
Rot. Bonds2

About benzyl thiohypochlorite

benzyl thiohypochlorite (PubChem CID 11332618) has the molecular formula C7H7ClS and a molecular weight of 158.65 g/mol. Its IUPAC name is benzyl thiohypochlorite.

Molecular Properties

Compound Namebenzyl thiohypochlorite
PubChem CID11332618
Molecular FormulaC7H7ClS
Molecular Weight158.65 g/mol
Exact Mass158.00
IUPAC Namebenzyl thiohypochlorite
SMILESClSCc1ccccc1
InChIInChI=1S/C7H7ClS/c8-9-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyIIQFIDKGTDXLBU-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.65
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chlorophenyl)methyl thiohypochlorite
CID 57103251
S-benzylthiohydroxylamine
CID 14664407
CID 18435300
CID 18435300
benzylsulfanylmethylbenzene;1,1'-biphenyl
CID 66703910
(4-isocyanophenyl)methyl thiohypochlorite
CID 22894491
3-benzylsulfanylpropylsulfanylmethylbenzene
CID 13214429
(benzyltetrasulfanyl)methylbenzene;ethane
CID 143979084
ethane;hydroxysulfanylmethylbenzene
CID 143821204
ethane;methane;methylsulfanylmethylbenzene
CID 161395103
iodomethylsulfanylmethylbenzene
CID 12664832
3-[3-(3-benzylsulfanylpropylsulfanyl)propylsulfanyl]propylsulfanylmethylbenzene
CID 15805005
benzylsulfanyl(tetramethyl)-λ5-stibane
CID 131852530

Frequently Asked Questions

What is the IUPAC name of benzyl thiohypochlorite?
The IUPAC name of benzyl thiohypochlorite (CID 11332618) is benzyl thiohypochlorite.
What is the SMILES notation for benzyl thiohypochlorite?
The canonical SMILES for benzyl thiohypochlorite is ClSCc1ccccc1.
What is the InChIKey of benzyl thiohypochlorite?
The InChIKey is IIQFIDKGTDXLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClS/c8-9-6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of benzyl thiohypochlorite?
benzyl thiohypochlorite has a molecular weight of 158.65 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl thiohypochlorite is sourced from PubChem (CID 11332618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).