butane;sulfane;hydrochloride

C4H13ClS — CID 173081400

IUPACbutane;sulfane;hydrochloride
SMILESCCCC.Cl.S
InChIInChI=1S/C4H10.ClH.H2S/c1-3-4-2;;/h3-4H2,1-2H3;1H;1H2
InChIKeyTTWIDXDQOKRIKW-UHFFFAOYSA-N
MW128.67 g/mol
LogP2.34
Rot. Bonds1

About butane;sulfane;hydrochloride

butane;sulfane;hydrochloride (PubChem CID 173081400) has the molecular formula C4H13ClS and a molecular weight of 128.67 g/mol. Its IUPAC name is butane;sulfane;hydrochloride.

Molecular Properties

Compound Namebutane;sulfane;hydrochloride
PubChem CID173081400
Molecular FormulaC4H13ClS
Molecular Weight128.67 g/mol
Exact Mass128.04
IUPAC Namebutane;sulfane;hydrochloride
SMILESCCCC.Cl.S
InChIInChI=1S/C4H10.ClH.H2S/c1-3-4-2;;/h3-4H2,1-2H3;1H;1H2
InChIKeyTTWIDXDQOKRIKW-UHFFFAOYSA-N
XLogP2.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.67
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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butane;methane
CID 169432073
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CID 173299742
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CID 161323740

Frequently Asked Questions

What is the IUPAC name of butane;sulfane;hydrochloride?
The IUPAC name of butane;sulfane;hydrochloride (CID 173081400) is butane;sulfane;hydrochloride.
What is the SMILES notation for butane;sulfane;hydrochloride?
The canonical SMILES for butane;sulfane;hydrochloride is CCCC.Cl.S.
What is the InChIKey of butane;sulfane;hydrochloride?
The InChIKey is TTWIDXDQOKRIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.ClH.H2S/c1-3-4-2;;/h3-4H2,1-2H3;1H;1H2.
What are the key properties of butane;sulfane;hydrochloride?
butane;sulfane;hydrochloride has a molecular weight of 128.67 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;sulfane;hydrochloride is sourced from PubChem (CID 173081400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).