ethane;(3Z)-3-methyl-5-methylsulfanylpenta-1,3-diene

C9H18S — CID 143043745

IUPACethane;(3Z)-3-methyl-5-methylsulfanylpenta-1,3-diene
SMILESC=C/C(C)=C\CSC.CC
InChIInChI=1S/C7H12S.C2H6/c1-4-7(2)5-6-8-3;1-2/h4-5H,1,6H2,2-3H3;1-2H3/b7-5-;
InChIKeyRCOWEXCJWFCDDB-YJOCEBFMSA-N
MW158.31 g/mol
LogP3.51
Rot. Bonds3

About ethane;(3Z)-3-methyl-5-methylsulfanylpenta-1,3-diene

ethane;(3Z)-3-methyl-5-methylsulfanylpenta-1,3-diene (PubChem CID 143043745) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is ethane;(3Z)-3-methyl-5-methylsulfanylpenta-1,3-diene.

Molecular Properties

Compound Nameethane;(3Z)-3-methyl-5-methylsulfanylpenta-1,3-diene
PubChem CID143043745
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Nameethane;(3Z)-3-methyl-5-methylsulfanylpenta-1,3-diene
SMILESC=C/C(C)=C\CSC.CC
InChIInChI=1S/C7H12S.C2H6/c1-4-7(2)5-6-8-3;1-2/h4-5H,1,6H2,2-3H3;1-2H3/b7-5-;
InChIKeyRCOWEXCJWFCDDB-YJOCEBFMSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-1-(Ethylthio)-3-methyl-1,3-butadiene
CID 13115305
2-Propenyl-1-propenyl disulfide
CID 129712287
1,3-Butadiene, 1-(ethylthio)-3-methyl-
CID 5369202
(1Z)-1-tert-butylsulfanyl-3-methylbuta-1,3-diene
CID 13115309
1-Ethylthio-3-methyl-1,3-butadiene
CID 567276
4-methyl-2H-thiopyran
CID 18974596
Isoprenyl thioether
CID 129653619
4-Fluoro-3-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 123406958
(E)-1-fluoro-2-methyl-1-[(2E)-penta-2,4-dienyl]sulfanylbut-1-ene
CID 162749753
(1E)-1-butylsulfanyl-3-methylbuta-1,3-diene
CID 13115306
2-(Ethylthio)-6,10-dimethyl-1,3,5,9-undecatetraene
CID 129804243
2-Vinyl propen-1-yl sulfide
CID 129871848

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-3-methyl-5-methylsulfanylpenta-1,3-diene?
The IUPAC name of ethane;(3Z)-3-methyl-5-methylsulfanylpenta-1,3-diene (CID 143043745) is ethane;(3Z)-3-methyl-5-methylsulfanylpenta-1,3-diene.
What is the SMILES notation for ethane;(3Z)-3-methyl-5-methylsulfanylpenta-1,3-diene?
The canonical SMILES for ethane;(3Z)-3-methyl-5-methylsulfanylpenta-1,3-diene is C=C/C(C)=C\CSC.CC.
What is the InChIKey of ethane;(3Z)-3-methyl-5-methylsulfanylpenta-1,3-diene?
The InChIKey is RCOWEXCJWFCDDB-YJOCEBFMSA-N. The full InChI is InChI=1S/C7H12S.C2H6/c1-4-7(2)5-6-8-3;1-2/h4-5H,1,6H2,2-3H3;1-2H3/b7-5-;.
What are the key properties of ethane;(3Z)-3-methyl-5-methylsulfanylpenta-1,3-diene?
ethane;(3Z)-3-methyl-5-methylsulfanylpenta-1,3-diene has a molecular weight of 158.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-3-methyl-5-methylsulfanylpenta-1,3-diene is sourced from PubChem (CID 143043745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).