(2Z)-2-heptan-3-ylidenethiolane

C11H20S — CID 134996419

IUPAC(2Z)-2-heptan-3-ylidenethiolane
SMILESCCCC/C(CC)=C1/CCCS1
InChIInChI=1S/C11H20S/c1-3-5-7-10(4-2)11-8-6-9-12-11/h3-9H2,1-2H3/b11-10-
InChIKeyKWOSQDXUPFKSNI-KHPPLWFESA-N
MW184.35 g/mol
LogP4.37
Rot. Bonds4

About (2Z)-2-heptan-3-ylidenethiolane

(2Z)-2-heptan-3-ylidenethiolane (PubChem CID 134996419) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is (2Z)-2-heptan-3-ylidenethiolane.

Molecular Properties

Compound Name(2Z)-2-heptan-3-ylidenethiolane
PubChem CID134996419
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name(2Z)-2-heptan-3-ylidenethiolane
SMILESCCCC/C(CC)=C1/CCCS1
InChIInChI=1S/C11H20S/c1-3-5-7-10(4-2)11-8-6-9-12-11/h3-9H2,1-2H3/b11-10-
InChIKeyKWOSQDXUPFKSNI-KHPPLWFESA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2Z)-2-heptan-3-ylidenethiolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-Dimethyl-2-n-heptyl-3,6-dihydro-2h-thiapyran
CID 15130803
3-Hexyl-2,5-dihydrothiophene
CID 57702302
3-Hexyl-4-methyl-2,5-dihydrothiophene
CID 57702306
4-Methyl-2-pentyl-2,5-dihydrothiophene
CID 57702316
2-Cyclohexylidenethiolane
CID 11789613
5-Tert-butylsulfanyl-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 15846890
(2E)-2-heptylidenethiolane
CID 100984303
(2Z)-2-heptylidenethiolane
CID 100984304
4,5-Dibutyl-2,3-dihydrothiophene
CID 121007950
(E)-5-methyl-6-propylsulfanyldec-5-ene
CID 132579850
(E)-5-(2-propylsulfanylethyl)dec-5-ene
CID 134843641
(E)-4-ethyl-5-methylsulfanyloct-4-ene
CID 134851418

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-heptan-3-ylidenethiolane?
The IUPAC name of (2Z)-2-heptan-3-ylidenethiolane (CID 134996419) is (2Z)-2-heptan-3-ylidenethiolane.
What is the SMILES notation for (2Z)-2-heptan-3-ylidenethiolane?
The canonical SMILES for (2Z)-2-heptan-3-ylidenethiolane is CCCC/C(CC)=C1/CCCS1.
What is the InChIKey of (2Z)-2-heptan-3-ylidenethiolane?
The InChIKey is KWOSQDXUPFKSNI-KHPPLWFESA-N. The full InChI is InChI=1S/C11H20S/c1-3-5-7-10(4-2)11-8-6-9-12-11/h3-9H2,1-2H3/b11-10-.
What are the key properties of (2Z)-2-heptan-3-ylidenethiolane?
(2Z)-2-heptan-3-ylidenethiolane has a molecular weight of 184.35 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-heptan-3-ylidenethiolane is sourced from PubChem (CID 134996419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).