ethane;1-prop-1-en-2-ylsulfanylpropane

C8H18S — CID 171074458

IUPACethane;1-prop-1-en-2-ylsulfanylpropane
SMILESC=C(C)SCCC.CC
InChIInChI=1S/C6H12S.C2H6/c1-4-5-7-6(2)3;1-2/h2,4-5H2,1,3H3;1-2H3
InChIKeyLQIAKGIRCCLCEB-UHFFFAOYSA-N
MW146.30 g/mol
LogP3.69
Rot. Bonds3

About ethane;1-prop-1-en-2-ylsulfanylpropane

ethane;1-prop-1-en-2-ylsulfanylpropane (PubChem CID 171074458) has the molecular formula C8H18S and a molecular weight of 146.30 g/mol. Its IUPAC name is ethane;1-prop-1-en-2-ylsulfanylpropane.

Molecular Properties

Compound Nameethane;1-prop-1-en-2-ylsulfanylpropane
PubChem CID171074458
Molecular FormulaC8H18S
Molecular Weight146.30 g/mol
Exact Mass146.11
IUPAC Nameethane;1-prop-1-en-2-ylsulfanylpropane
SMILESC=C(C)SCCC.CC
InChIInChI=1S/C6H12S.C2H6/c1-4-5-7-6(2)3;1-2/h2,4-5H2,1,3H3;1-2H3
InChIKeyLQIAKGIRCCLCEB-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-prop-1-en-2-ylsulfanylpropane
CID 118361917
1-prop-1-en-2-ylsulfanylbutane
CID 88558402
butane;ethane;2-methylprop-1-ene
CID 142168819
bis(propylsulfanyl)methanone
CID 536266
butane;ethane;2-methylbut-1-ene
CID 142050807
2,3-bis(butylsulfanyl)buta-1,3-diene
CID 87361196
ethane;hexane;2-methylprop-1-ene;propane
CID 145358355
2,2-dimethylpropane;2-methyl-2-(2-prop-1-en-2-ylsulfanylethylsulfonyl)propane
CID 90754413
trimethyl-(1-methylsulfanyl-3-prop-1-en-2-ylsulfanylpropyl)silane
CID 12726560
S-propyl 4-methyl-3-methylidenehexanethioate
CID 146646991
ethane;hexane;pentane;(Z)-3-prop-1-en-2-ylsulfanylpent-2-ene
CID 144507729
methanol;propyl carbamodithioate
CID 174248667

Frequently Asked Questions

What is the IUPAC name of ethane;1-prop-1-en-2-ylsulfanylpropane?
The IUPAC name of ethane;1-prop-1-en-2-ylsulfanylpropane (CID 171074458) is ethane;1-prop-1-en-2-ylsulfanylpropane.
What is the SMILES notation for ethane;1-prop-1-en-2-ylsulfanylpropane?
The canonical SMILES for ethane;1-prop-1-en-2-ylsulfanylpropane is C=C(C)SCCC.CC.
What is the InChIKey of ethane;1-prop-1-en-2-ylsulfanylpropane?
The InChIKey is LQIAKGIRCCLCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S.C2H6/c1-4-5-7-6(2)3;1-2/h2,4-5H2,1,3H3;1-2H3.
What are the key properties of ethane;1-prop-1-en-2-ylsulfanylpropane?
ethane;1-prop-1-en-2-ylsulfanylpropane has a molecular weight of 146.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-prop-1-en-2-ylsulfanylpropane is sourced from PubChem (CID 171074458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).