1,3-dithiane;hex-1-ene

C10H20S2 — CID 175312419

IUPAC1,3-dithiane;hex-1-ene
SMILESC1CSCSC1.C=CCCCC
InChIInChI=1S/C6H12.C4H8S2/c1-3-5-6-4-2;1-2-5-4-6-3-1/h3H,1,4-6H2,2H3;1-4H2
InChIKeyWECWVEWVCWVHSH-UHFFFAOYSA-N
MW204.40 g/mol
LogP4.18
Rot. Bonds3

About 1,3-dithiane;hex-1-ene

1,3-dithiane;hex-1-ene (PubChem CID 175312419) has the molecular formula C10H20S2 and a molecular weight of 204.40 g/mol. Its IUPAC name is 1,3-dithiane;hex-1-ene.

Molecular Properties

Compound Name1,3-dithiane;hex-1-ene
PubChem CID175312419
Molecular FormulaC10H20S2
Molecular Weight204.40 g/mol
Exact Mass204.10
IUPAC Name1,3-dithiane;hex-1-ene
SMILESC1CSCSC1.C=CCCCC
InChIInChI=1S/C6H12.C4H8S2/c1-3-5-6-4-2;1-2-5-4-6-3-1/h3H,1,4-6H2,2H3;1-4H2
InChIKeyWECWVEWVCWVHSH-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dithiane;hex-1-ene?
The IUPAC name of 1,3-dithiane;hex-1-ene (CID 175312419) is 1,3-dithiane;hex-1-ene.
What is the SMILES notation for 1,3-dithiane;hex-1-ene?
The canonical SMILES for 1,3-dithiane;hex-1-ene is C1CSCSC1.C=CCCCC.
What is the InChIKey of 1,3-dithiane;hex-1-ene?
The InChIKey is WECWVEWVCWVHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4H8S2/c1-3-5-6-4-2;1-2-5-4-6-3-1/h3H,1,4-6H2,2H3;1-4H2.
What are the key properties of 1,3-dithiane;hex-1-ene?
1,3-dithiane;hex-1-ene has a molecular weight of 204.40 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dithiane;hex-1-ene is sourced from PubChem (CID 175312419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).