ethane;methanethione;pentane

C10H26S — CID 142864523

IUPACethane;methanethione;pentane
SMILESC=S.CC.CC.CCCCC
InChIInChI=1S/C5H12.2C2H6.CH2S/c1-3-5-4-2;3*1-2/h3-5H2,1-2H3;2*1-2H3;1H2
InChIKeyKFECZJBOGGTFCC-UHFFFAOYSA-N
MW178.38 g/mol
LogP4.86
Rot. Bonds2

About ethane;methanethione;pentane

ethane;methanethione;pentane (PubChem CID 142864523) has the molecular formula C10H26S and a molecular weight of 178.38 g/mol. Its IUPAC name is ethane;methanethione;pentane.

Molecular Properties

Compound Nameethane;methanethione;pentane
PubChem CID142864523
Molecular FormulaC10H26S
Molecular Weight178.38 g/mol
Exact Mass178.18
IUPAC Nameethane;methanethione;pentane
SMILESC=S.CC.CC.CCCCC
InChIInChI=1S/C5H12.2C2H6.CH2S/c1-3-5-4-2;3*1-2/h3-5H2,1-2H3;2*1-2H3;1H2
InChIKeyKFECZJBOGGTFCC-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.38
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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ethene;pentane
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ethane;methanol;bis(pentane)
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ethene;pentane;propane
CID 145405688
hexadecakis(pentane);dihydrate
CID 173099119
CID 159411255
CID 159411255
pentane;propane
CID 91422342
zinc pentane
CID 19065630
CID 157215984
CID 157215984
pentane;stannane
CID 173279416

Frequently Asked Questions

What is the IUPAC name of ethane;methanethione;pentane?
The IUPAC name of ethane;methanethione;pentane (CID 142864523) is ethane;methanethione;pentane.
What is the SMILES notation for ethane;methanethione;pentane?
The canonical SMILES for ethane;methanethione;pentane is C=S.CC.CC.CCCCC.
What is the InChIKey of ethane;methanethione;pentane?
The InChIKey is KFECZJBOGGTFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.2C2H6.CH2S/c1-3-5-4-2;3*1-2/h3-5H2,1-2H3;2*1-2H3;1H2.
What are the key properties of ethane;methanethione;pentane?
ethane;methanethione;pentane has a molecular weight of 178.38 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanethione;pentane is sourced from PubChem (CID 142864523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).