butan-2-yl thiohypochlorite;carbamic acid

C5H12ClNO2S — CID 88674015

IUPACbutan-2-yl thiohypochlorite;carbamic acid
SMILESCCC(C)SCl.NC(=O)O
InChIInChI=1S/C4H9ClS.CH3NO2/c1-3-4(2)6-5;2-1(3)4/h4H,3H2,1-2H3;2H2,(H,3,4)
InChIKeyLPBZVNJOCFIICB-UHFFFAOYSA-N
MW185.68 g/mol
LogP2.30
Rot. Bonds2

About butan-2-yl thiohypochlorite;carbamic acid

butan-2-yl thiohypochlorite;carbamic acid (PubChem CID 88674015) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is butan-2-yl thiohypochlorite;carbamic acid.

Molecular Properties

Compound Namebutan-2-yl thiohypochlorite;carbamic acid
PubChem CID88674015
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC Namebutan-2-yl thiohypochlorite;carbamic acid
SMILESCCC(C)SCl.NC(=O)O
InChIInChI=1S/C4H9ClS.CH3NO2/c1-3-4(2)6-5;2-1(3)4/h4H,3H2,1-2H3;2H2,(H,3,4)
InChIKeyLPBZVNJOCFIICB-UHFFFAOYSA-N
XLogP2.30
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-ylsulfanyl-2-(methylamino)butanamide
CID 63034115
(2S)-2-amino-3-[(2R)-butan-2-yl]sulfanylpropanoic acid
CID 28744671
methane;2-methylbutanamide
CID 158835184
carbamic acid;ethane-1,1-diol
CID 175516501
carbamic acid;tetraethylazanium
CID 159284464
2-(1-hydroxypropan-2-ylsulfanyl)propanamide
CID 115659409
2-[(1-amino-1-oxobutan-2-yl)disulfanyl]butanamide
CID 87477229
(2R,3R)-2,3-dimethylpentanamide
CID 170847775
2-(1-amino-1-oxobutan-2-yl)sulfanylbutanoic acid
CID 105353104
3-butan-2-ylsulfanylpropanoic acid
CID 560596
2,3-dimethylpentanamide;hydroxylamine
CID 88699485
2-(1-amino-1-oxopropan-2-yl)sulfanylpropanoic acid
CID 43082896

Frequently Asked Questions

What is the IUPAC name of butan-2-yl thiohypochlorite;carbamic acid?
The IUPAC name of butan-2-yl thiohypochlorite;carbamic acid (CID 88674015) is butan-2-yl thiohypochlorite;carbamic acid.
What is the SMILES notation for butan-2-yl thiohypochlorite;carbamic acid?
The canonical SMILES for butan-2-yl thiohypochlorite;carbamic acid is CCC(C)SCl.NC(=O)O.
What is the InChIKey of butan-2-yl thiohypochlorite;carbamic acid?
The InChIKey is LPBZVNJOCFIICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClS.CH3NO2/c1-3-4(2)6-5;2-1(3)4/h4H,3H2,1-2H3;2H2,(H,3,4).
What are the key properties of butan-2-yl thiohypochlorite;carbamic acid?
butan-2-yl thiohypochlorite;carbamic acid has a molecular weight of 185.68 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl thiohypochlorite;carbamic acid is sourced from PubChem (CID 88674015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).