but-1-en-2-yl thiohypochlorite

C4H7ClS — CID 174428914

IUPACbut-1-en-2-yl thiohypochlorite
SMILESC=C(CC)SCl
InChIInChI=1S/C4H7ClS/c1-3-4(2)6-5/h2-3H2,1H3
InChIKeyMZGZWTFFYRTOPM-UHFFFAOYSA-N
MW122.62 g/mol
LogP2.80
Rot. Bonds2

About but-1-en-2-yl thiohypochlorite

but-1-en-2-yl thiohypochlorite (PubChem CID 174428914) has the molecular formula C4H7ClS and a molecular weight of 122.62 g/mol. Its IUPAC name is but-1-en-2-yl thiohypochlorite.

Molecular Properties

Compound Namebut-1-en-2-yl thiohypochlorite
PubChem CID174428914
Molecular FormulaC4H7ClS
Molecular Weight122.62 g/mol
Exact Mass122.00
IUPAC Namebut-1-en-2-yl thiohypochlorite
SMILESC=C(CC)SCl
InChIInChI=1S/C4H7ClS/c1-3-4(2)6-5/h2-3H2,1H3
InChIKeyMZGZWTFFYRTOPM-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.62
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-iodobut-1-ene
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2,2-dimethyl-3-methylidenepentane;ethene
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bis(2-methylprop-1-ene);propane
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N-[(E)-1-but-1-en-2-ylsulfanylprop-1-en-2-yl]-N-methylthiohydroxylamine
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2-chloropent-1-en-3-one
CID 12710524
butane;ethane;2-methylbut-1-ene
CID 142050807
N,N-dimethylmethanamine;2-methylbut-1-ene
CID 88812091
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
magnesium;2-methanidylbut-1-ene;bromide
CID 10888403

Frequently Asked Questions

What is the IUPAC name of but-1-en-2-yl thiohypochlorite?
The IUPAC name of but-1-en-2-yl thiohypochlorite (CID 174428914) is but-1-en-2-yl thiohypochlorite.
What is the SMILES notation for but-1-en-2-yl thiohypochlorite?
The canonical SMILES for but-1-en-2-yl thiohypochlorite is C=C(CC)SCl.
What is the InChIKey of but-1-en-2-yl thiohypochlorite?
The InChIKey is MZGZWTFFYRTOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClS/c1-3-4(2)6-5/h2-3H2,1H3.
What are the key properties of but-1-en-2-yl thiohypochlorite?
but-1-en-2-yl thiohypochlorite has a molecular weight of 122.62 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-en-2-yl thiohypochlorite is sourced from PubChem (CID 174428914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).