[(2S)-butan-2-yl] thiohypochlorite

C4H9ClS — CID 134928317

IUPAC[(2S)-butan-2-yl] thiohypochlorite
SMILESCC[C@H](C)SCl
InChIInChI=1S/C4H9ClS/c1-3-4(2)6-5/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyMRMIHBHIFNDPQJ-BYPYZUCNSA-N
MW124.64 g/mol
LogP2.67
Rot. Bonds2

About [(2S)-butan-2-yl] thiohypochlorite

[(2S)-butan-2-yl] thiohypochlorite (PubChem CID 134928317) has the molecular formula C4H9ClS and a molecular weight of 124.64 g/mol. Its IUPAC name is [(2S)-butan-2-yl] thiohypochlorite.

Molecular Properties

Compound Name[(2S)-butan-2-yl] thiohypochlorite
PubChem CID134928317
Molecular FormulaC4H9ClS
Molecular Weight124.64 g/mol
Exact Mass124.01
IUPAC Name[(2S)-butan-2-yl] thiohypochlorite
SMILESCC[C@H](C)SCl
InChIInChI=1S/C4H9ClS/c1-3-4(2)6-5/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyMRMIHBHIFNDPQJ-BYPYZUCNSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.64
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2S)-butan-2-yl] thiohypochlorite?
The IUPAC name of [(2S)-butan-2-yl] thiohypochlorite (CID 134928317) is [(2S)-butan-2-yl] thiohypochlorite.
What is the SMILES notation for [(2S)-butan-2-yl] thiohypochlorite?
The canonical SMILES for [(2S)-butan-2-yl] thiohypochlorite is CC[C@H](C)SCl.
What is the InChIKey of [(2S)-butan-2-yl] thiohypochlorite?
The InChIKey is MRMIHBHIFNDPQJ-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H9ClS/c1-3-4(2)6-5/h4H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of [(2S)-butan-2-yl] thiohypochlorite?
[(2S)-butan-2-yl] thiohypochlorite has a molecular weight of 124.64 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-butan-2-yl] thiohypochlorite is sourced from PubChem (CID 134928317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).