methane;sulfane

C51H216S6 — CID 157188826

IUPACmethane;sulfane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.S.S.S.S.S.S
InChIInChI=1S/51CH4.6H2S/h51*1H4;6*1H2
InChIKeyAPLJADGQWKWYTI-UHFFFAOYSA-N
MW1022.69 g/mol
LogP33.12
Rot. Bonds

About methane;sulfane

methane;sulfane (PubChem CID 157188826) has the molecular formula C51H216S6 and a molecular weight of 1022.69 g/mol. Its IUPAC name is methane;sulfane.

Molecular Properties

Compound Namemethane;sulfane
PubChem CID157188826
Molecular FormulaC51H216S6
Molecular Weight1022.69 g/mol
Exact Mass1021.52
IUPAC Namemethane;sulfane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.S.S.S.S.S.S
InChIInChI=1S/51CH4.6H2S/h51*1H4;6*1H2
InChIKeyAPLJADGQWKWYTI-UHFFFAOYSA-N
XLogP33.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001022.69
LogP ≤ 533.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 157104155
CID 157104155
CID 157612050
CID 157612050
Methane;sulfane
CID 157980362
Methane;sulfane
CID 158385828
CID 158606989
CID 158606989
CID 158690542
CID 158690542
Deuterium monohydride;methane;sulfane
CID 158891544
Methane;sulfane
CID 158981316
CID 159467465
CID 159467465
Methane;sulfane
CID 160489689
Hydron;methane;sulfane;sulfanide
CID 160545784
Methane;sulfane
CID 160584832

Frequently Asked Questions

What is the IUPAC name of methane;sulfane?
The IUPAC name of methane;sulfane (CID 157188826) is methane;sulfane.
What is the SMILES notation for methane;sulfane?
The canonical SMILES for methane;sulfane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.S.S.S.S.S.S.
What is the InChIKey of methane;sulfane?
The InChIKey is APLJADGQWKWYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/51CH4.6H2S/h51*1H4;6*1H2.
What are the key properties of methane;sulfane?
methane;sulfane has a molecular weight of 1022.69 g/mol, XLogP of 33.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;sulfane is sourced from PubChem (CID 157188826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).