2-ethylidene-3-prop-2-enylidenethiolane

C9H12S — CID 123580390

IUPAC2-ethylidene-3-prop-2-enylidenethiolane
SMILESC=CC=C1CCSC1=CC
InChIInChI=1S/C9H12S/c1-3-5-8-6-7-10-9(8)4-2/h3-5H,1,6-7H2,2H3
InChIKeyGONIJFVEOXPBGU-UHFFFAOYSA-N
MW152.26 g/mol
LogP3.14
Rot. Bonds1

About 2-ethylidene-3-prop-2-enylidenethiolane

2-ethylidene-3-prop-2-enylidenethiolane (PubChem CID 123580390) has the molecular formula C9H12S and a molecular weight of 152.26 g/mol. Its IUPAC name is 2-ethylidene-3-prop-2-enylidenethiolane.

Molecular Properties

Compound Name2-ethylidene-3-prop-2-enylidenethiolane
PubChem CID123580390
Molecular FormulaC9H12S
Molecular Weight152.26 g/mol
Exact Mass152.07
IUPAC Name2-ethylidene-3-prop-2-enylidenethiolane
SMILESC=CC=C1CCSC1=CC
InChIInChI=1S/C9H12S/c1-3-5-8-6-7-10-9(8)4-2/h3-5H,1,6-7H2,2H3
InChIKeyGONIJFVEOXPBGU-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethylidene-2-prop-2-enylidenecyclooctane
CID 91407681
ethane;(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidine
CID 143519935
ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecycloheptane
CID 143924638
(3E,4Z)-3-ethylidene-1-methyl-4-prop-2-enylidenepiperidine
CID 89468901
(4E,5E)-4-ethylidene-5-prop-2-enylidenethiazinane
CID 130412005
(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidine
CID 135293785
3-ethylidene-4-prop-2-enylideneoxolane
CID 90927536
4-ethylidene-3-prop-2-enylideneoxane
CID 91078972
(3E,4E)-4-ethylidene-2-methylidene-1-propan-2-yl-3-prop-2-enylidenepyrrolidine
CID 170363946
3-ethylidene-2-prop-2-enylideneoxolane
CID 91481308
ethane;(3E,4E)-3-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one
CID 171627448
ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylideneoxan-2-one
CID 143243807

Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-3-prop-2-enylidenethiolane?
The IUPAC name of 2-ethylidene-3-prop-2-enylidenethiolane (CID 123580390) is 2-ethylidene-3-prop-2-enylidenethiolane.
What is the SMILES notation for 2-ethylidene-3-prop-2-enylidenethiolane?
The canonical SMILES for 2-ethylidene-3-prop-2-enylidenethiolane is C=CC=C1CCSC1=CC.
What is the InChIKey of 2-ethylidene-3-prop-2-enylidenethiolane?
The InChIKey is GONIJFVEOXPBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12S/c1-3-5-8-6-7-10-9(8)4-2/h3-5H,1,6-7H2,2H3.
What are the key properties of 2-ethylidene-3-prop-2-enylidenethiolane?
2-ethylidene-3-prop-2-enylidenethiolane has a molecular weight of 152.26 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-3-prop-2-enylidenethiolane is sourced from PubChem (CID 123580390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).