ethane;methanethiol;prop-1-yne

C6H14S — CID 144528675

IUPACethane;methanethiol;prop-1-yne
SMILESC#CC.CC.CS
InChIInChI=1S/C3H4.C2H6.CH4S/c1-3-2;2*1-2/h1H,2H3;1-2H3;2H,1H3
InChIKeyFZNAOIRCOLAXIV-UHFFFAOYSA-N
MW118.24 g/mol
LogP2.21
Rot. Bonds

About ethane;methanethiol;prop-1-yne

ethane;methanethiol;prop-1-yne (PubChem CID 144528675) has the molecular formula C6H14S and a molecular weight of 118.24 g/mol. Its IUPAC name is ethane;methanethiol;prop-1-yne.

Molecular Properties

Compound Nameethane;methanethiol;prop-1-yne
PubChem CID144528675
Molecular FormulaC6H14S
Molecular Weight118.24 g/mol
Exact Mass118.08
IUPAC Nameethane;methanethiol;prop-1-yne
SMILESC#CC.CC.CS
InChIInChI=1S/C3H4.C2H6.CH4S/c1-3-2;2*1-2/h1H,2H3;1-2H3;2H,1H3
InChIKeyFZNAOIRCOLAXIV-UHFFFAOYSA-N
XLogP2.21
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methane;prop-1-yne
CID 157284750
benzene;ethane;prop-1-yne
CID 90730719
but-2-yne;bis(prop-1-yne)
CID 159474531
acetylene;ethane;ethene;methane;prop-1-yne
CID 162268690
acetylene;molecular hydrogen;prop-1-yne
CID 159941146
carbon dioxide;prop-1-yne
CID 161111477
carbon monoxide;chromium;tris(prop-1-yne)
CID 11821199
ethyne;methane;prop-1-yne;uranium
CID 157366445
carbanide;prop-1-yne;prop-1-yne;bis(yttrium)
CID 160544515
methanethiol;molecular nitrogen
CID 141225031
methanamine;methane;methanethiol;methanol;bis(N-methylmethanamine);propan-2-imine;prop-1-yne
CID 162171856
ethane;formyl formate;methane;prop-1-yne
CID 161437315

Frequently Asked Questions

What is the IUPAC name of ethane;methanethiol;prop-1-yne?
The IUPAC name of ethane;methanethiol;prop-1-yne (CID 144528675) is ethane;methanethiol;prop-1-yne.
What is the SMILES notation for ethane;methanethiol;prop-1-yne?
The canonical SMILES for ethane;methanethiol;prop-1-yne is C#CC.CC.CS.
What is the InChIKey of ethane;methanethiol;prop-1-yne?
The InChIKey is FZNAOIRCOLAXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4.C2H6.CH4S/c1-3-2;2*1-2/h1H,2H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanethiol;prop-1-yne?
ethane;methanethiol;prop-1-yne has a molecular weight of 118.24 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanethiol;prop-1-yne is sourced from PubChem (CID 144528675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).