methane;sulfane;hydrate;hydrochloride

CH9ClOS — CID 174531057

IUPACmethane;sulfane;hydrate;hydrochloride
SMILESC.Cl.O.S
InChIInChI=1S/CH4.ClH.H2O.H2S/h1H4;1H;2*1H2
InChIKeyQWVCNMYBVBKJPW-UHFFFAOYSA-N
MW104.60 g/mol
LogP0.35
Rot. Bonds

About methane;sulfane;hydrate;hydrochloride

methane;sulfane;hydrate;hydrochloride (PubChem CID 174531057) has the molecular formula CH9ClOS and a molecular weight of 104.60 g/mol. Its IUPAC name is methane;sulfane;hydrate;hydrochloride.

Molecular Properties

Compound Namemethane;sulfane;hydrate;hydrochloride
PubChem CID174531057
Molecular FormulaCH9ClOS
Molecular Weight104.60 g/mol
Exact Mass104.01
IUPAC Namemethane;sulfane;hydrate;hydrochloride
SMILESC.Cl.O.S
InChIInChI=1S/CH4.ClH.H2O.H2S/h1H4;1H;2*1H2
InChIKeyQWVCNMYBVBKJPW-UHFFFAOYSA-N
XLogP0.35
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.60
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methane;sulfane;hydrate;hydrochloride?
The IUPAC name of methane;sulfane;hydrate;hydrochloride (CID 174531057) is methane;sulfane;hydrate;hydrochloride.
What is the SMILES notation for methane;sulfane;hydrate;hydrochloride?
The canonical SMILES for methane;sulfane;hydrate;hydrochloride is C.Cl.O.S.
What is the InChIKey of methane;sulfane;hydrate;hydrochloride?
The InChIKey is QWVCNMYBVBKJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4.ClH.H2O.H2S/h1H4;1H;2*1H2.
What are the key properties of methane;sulfane;hydrate;hydrochloride?
methane;sulfane;hydrate;hydrochloride has a molecular weight of 104.60 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;sulfane;hydrate;hydrochloride is sourced from PubChem (CID 174531057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).