4,4-bis(ethenyl)thiane;platinum

C9H14PtS — CID 175900341

IUPAC4,4-bis(ethenyl)thiane;platinum
SMILESC=CC1(C=C)CCSCC1.[Pt]
InChIInChI=1S/C9H14S.Pt/c1-3-9(4-2)5-7-10-8-6-9;/h3-4H,1-2,5-8H2;
InChIKeyDPDWXCDNEGYMNC-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.87
Rot. Bonds2

About 4,4-bis(ethenyl)thiane;platinum

4,4-bis(ethenyl)thiane;platinum (PubChem CID 175900341) has the molecular formula C9H14PtS and a molecular weight of 349.36 g/mol. Its IUPAC name is 4,4-bis(ethenyl)thiane;platinum.

Molecular Properties

Compound Name4,4-bis(ethenyl)thiane;platinum
PubChem CID175900341
Molecular FormulaC9H14PtS
Molecular Weight349.36 g/mol
Exact Mass349.05
IUPAC Name4,4-bis(ethenyl)thiane;platinum
SMILESC=CC1(C=C)CCSCC1.[Pt]
InChIInChI=1S/C9H14S.Pt/c1-3-9(4-2)5-7-10-8-6-9;/h3-4H,1-2,5-8H2;
InChIKeyDPDWXCDNEGYMNC-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Propa-1,2-dienylthiane
CID 145483614
But-1-ene;4,4-dimethylthiane
CID 158951789
4-Prop-2-enylthiane
CID 130067807
4-(Iodomethyl)-4-prop-2-enylthiane
CID 130135751
4,4-Bis(ethenyl)thiane
CID 175900342

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(ethenyl)thiane;platinum?
The IUPAC name of 4,4-bis(ethenyl)thiane;platinum (CID 175900341) is 4,4-bis(ethenyl)thiane;platinum.
What is the SMILES notation for 4,4-bis(ethenyl)thiane;platinum?
The canonical SMILES for 4,4-bis(ethenyl)thiane;platinum is C=CC1(C=C)CCSCC1.[Pt].
What is the InChIKey of 4,4-bis(ethenyl)thiane;platinum?
The InChIKey is DPDWXCDNEGYMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S.Pt/c1-3-9(4-2)5-7-10-8-6-9;/h3-4H,1-2,5-8H2;.
What are the key properties of 4,4-bis(ethenyl)thiane;platinum?
4,4-bis(ethenyl)thiane;platinum has a molecular weight of 349.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(ethenyl)thiane;platinum is sourced from PubChem (CID 175900341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).