1-prop-1-en-2-ylsulfanylpropane

C6H12S — CID 118361917

IUPAC1-prop-1-en-2-ylsulfanylpropane
SMILESC=C(C)SCCC
InChIInChI=1S/C6H12S/c1-4-5-7-6(2)3/h2,4-5H2,1,3H3
InChIKeyJOIHPEDELJNHTH-UHFFFAOYSA-N
MW116.23 g/mol
LogP2.66
Rot. Bonds3

About 1-prop-1-en-2-ylsulfanylpropane

1-prop-1-en-2-ylsulfanylpropane (PubChem CID 118361917) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is 1-prop-1-en-2-ylsulfanylpropane.

Molecular Properties

Compound Name1-prop-1-en-2-ylsulfanylpropane
PubChem CID118361917
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Name1-prop-1-en-2-ylsulfanylpropane
SMILESC=C(C)SCCC
InChIInChI=1S/C6H12S/c1-4-5-7-6(2)3/h2,4-5H2,1,3H3
InChIKeyJOIHPEDELJNHTH-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-prop-1-en-2-ylsulfanylpropane
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1-prop-1-en-2-ylsulfanylbutane
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2,3-bis(butylsulfanyl)buta-1,3-diene
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butane;ethane;2-methylprop-1-ene
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2,2-dimethylpropane;2-methyl-2-(2-prop-1-en-2-ylsulfanylethylsulfonyl)propane
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trimethyl-(1-methylsulfanyl-3-prop-1-en-2-ylsulfanylpropyl)silane
CID 12726560
S-propyl 4-methyl-3-methylidenehexanethioate
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CID 158814138
CID 158814138
S-propyl carbamothioate;dihydrochloride
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S-propyl N,N-dimethylcarbamothioate
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CID 50923072
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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-ylsulfanylpropane?
The IUPAC name of 1-prop-1-en-2-ylsulfanylpropane (CID 118361917) is 1-prop-1-en-2-ylsulfanylpropane.
What is the SMILES notation for 1-prop-1-en-2-ylsulfanylpropane?
The canonical SMILES for 1-prop-1-en-2-ylsulfanylpropane is C=C(C)SCCC.
What is the InChIKey of 1-prop-1-en-2-ylsulfanylpropane?
The InChIKey is JOIHPEDELJNHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S/c1-4-5-7-6(2)3/h2,4-5H2,1,3H3.
What are the key properties of 1-prop-1-en-2-ylsulfanylpropane?
1-prop-1-en-2-ylsulfanylpropane has a molecular weight of 116.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-ylsulfanylpropane is sourced from PubChem (CID 118361917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).