2-(4-methylpent-3-en-2-ylidene)-1,3-dithiane

C10H16S2 — CID 134987856

IUPAC2-(4-methylpent-3-en-2-ylidene)-1,3-dithiane
SMILESCC(C)=CC(C)=C1SCCCS1
InChIInChI=1S/C10H16S2/c1-8(2)7-9(3)10-11-5-4-6-12-10/h7H,4-6H2,1-3H3
InChIKeyNRRBBHATPUPANP-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.05
Rot. Bonds1

About 2-(4-methylpent-3-en-2-ylidene)-1,3-dithiane

2-(4-methylpent-3-en-2-ylidene)-1,3-dithiane (PubChem CID 134987856) has the molecular formula C10H16S2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-(4-methylpent-3-en-2-ylidene)-1,3-dithiane.

Molecular Properties

Compound Name2-(4-methylpent-3-en-2-ylidene)-1,3-dithiane
PubChem CID134987856
Molecular FormulaC10H16S2
Molecular Weight200.37 g/mol
Exact Mass200.07
IUPAC Name2-(4-methylpent-3-en-2-ylidene)-1,3-dithiane
SMILESCC(C)=CC(C)=C1SCCCS1
InChIInChI=1S/C10H16S2/c1-8(2)7-9(3)10-11-5-4-6-12-10/h7H,4-6H2,1-3H3
InChIKeyNRRBBHATPUPANP-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpent-3-en-2-ylidene)-1,3-dithiane?
The IUPAC name of 2-(4-methylpent-3-en-2-ylidene)-1,3-dithiane (CID 134987856) is 2-(4-methylpent-3-en-2-ylidene)-1,3-dithiane.
What is the SMILES notation for 2-(4-methylpent-3-en-2-ylidene)-1,3-dithiane?
The canonical SMILES for 2-(4-methylpent-3-en-2-ylidene)-1,3-dithiane is CC(C)=CC(C)=C1SCCCS1.
What is the InChIKey of 2-(4-methylpent-3-en-2-ylidene)-1,3-dithiane?
The InChIKey is NRRBBHATPUPANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S2/c1-8(2)7-9(3)10-11-5-4-6-12-10/h7H,4-6H2,1-3H3.
What are the key properties of 2-(4-methylpent-3-en-2-ylidene)-1,3-dithiane?
2-(4-methylpent-3-en-2-ylidene)-1,3-dithiane has a molecular weight of 200.37 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpent-3-en-2-ylidene)-1,3-dithiane is sourced from PubChem (CID 134987856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).