butan-1-amine;sulfuryl dichloride;hydrochloride

C4H12Cl3NO2S — CID 159395849

IUPACbutan-1-amine;sulfuryl dichloride;hydrochloride
SMILESCCCCN.Cl.O=S(=O)(Cl)Cl
InChIInChI=1S/C4H11N.Cl2O2S.ClH/c1-2-3-4-5;1-5(2,3)4;/h2-5H2,1H3;;1H
InChIKeyLMRYNFJQXVAOMG-UHFFFAOYSA-N
MW244.57 g/mol
LogP1.88
Rot. Bonds2

About butan-1-amine;sulfuryl dichloride;hydrochloride

butan-1-amine;sulfuryl dichloride;hydrochloride (PubChem CID 159395849) has the molecular formula C4H12Cl3NO2S and a molecular weight of 244.57 g/mol. Its IUPAC name is butan-1-amine;sulfuryl dichloride;hydrochloride.

Molecular Properties

Compound Namebutan-1-amine;sulfuryl dichloride;hydrochloride
PubChem CID159395849
Molecular FormulaC4H12Cl3NO2S
Molecular Weight244.57 g/mol
Exact Mass242.97
IUPAC Namebutan-1-amine;sulfuryl dichloride;hydrochloride
SMILESCCCCN.Cl.O=S(=O)(Cl)Cl
InChIInChI=1S/C4H11N.Cl2O2S.ClH/c1-2-3-4-5;1-5(2,3)4;/h2-5H2,1H3;;1H
InChIKeyLMRYNFJQXVAOMG-UHFFFAOYSA-N
XLogP1.88
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.57
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 159237160
CID 159237160
butan-1-amine;N,N-dimethylmethanamine;sulfuric acid
CID 174720864
butan-1-amine;dichlorogermane
CID 174998668
butan-1-amine;butane-1-sulfonic acid
CID 159596824
tris(butan-1-amine);methylsilane
CID 161377074
bis(nonan-1-amine);sulfuric acid
CID 3055201
3-butylsulfonylpropan-1-amine
CID 43615632
bis(nonan-1-amine);sulfate
CID 21153128
decan-1-amine;dihydrochloride
CID 172731620
butan-1-amine;dodecan-1-amine
CID 158532895
octadecan-1-amine;trihydrochloride
CID 175177898
azane;butan-1-amine;ethane;hydrate
CID 159979344

Frequently Asked Questions

What is the IUPAC name of butan-1-amine;sulfuryl dichloride;hydrochloride?
The IUPAC name of butan-1-amine;sulfuryl dichloride;hydrochloride (CID 159395849) is butan-1-amine;sulfuryl dichloride;hydrochloride.
What is the SMILES notation for butan-1-amine;sulfuryl dichloride;hydrochloride?
The canonical SMILES for butan-1-amine;sulfuryl dichloride;hydrochloride is CCCCN.Cl.O=S(=O)(Cl)Cl.
What is the InChIKey of butan-1-amine;sulfuryl dichloride;hydrochloride?
The InChIKey is LMRYNFJQXVAOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.Cl2O2S.ClH/c1-2-3-4-5;1-5(2,3)4;/h2-5H2,1H3;;1H.
What are the key properties of butan-1-amine;sulfuryl dichloride;hydrochloride?
butan-1-amine;sulfuryl dichloride;hydrochloride has a molecular weight of 244.57 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;sulfuryl dichloride;hydrochloride is sourced from PubChem (CID 159395849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).