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Molecule
(Sp-4-2)-Dichlorobis[1,1′-Thiobis[Ethane]]Platinum
CAS: 15442-57-6 · C8H20Cl2PtS2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15442-57-6
- Molecular Formula
- C8H20Cl2PtS2
- Molecular Mass
- 446.37 g/mol
Identifiers
CAS Registry Number
15442-57-6
SMILES
CCSCC.CCSCC.[Cl-].[Cl-].[Pt+2]
InChI Key
DCIVLRIRJUWCIS-UHFFFAOYSA-L
InChI
InChI=1S/2C4H10S.2ClH.Pt/c2*1-3-5-4-2;;;/h2*3-4H2,1-2H3;2*1H;/q;;;;+2/p-2
Names and Synonyms
- (Sp-4-2)-Dichlorobis[1,1′-Thiobis[Ethane]]Platinum Synonym
- Platinum, dichlorobis[1,1′-thiobis[ethane]]-, (SP-4-2)- Synonym
- Platinum, dichlorobis(ethyl sulfide)-, cis- Synonym
- (SP-4-2)-Dichlorobis[1,1′-thiobis[ethane]]platinum Synonym
- cis-Dichlorobis(diethyl sulfide)platinum Synonym
- cis-Dichlorobis(1,1′-thiobisethane)platinum Synonym
- NSC 137445 Synonym
- cis-Dichlorobis(diethyl sulfide)platinum(II) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 446.37 g/mol | CAS Common Chemistry |
| 446.366 g/mol | RDKit | |
| 450.384 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-][Pt+2]([Cl-])([S](CC)CC)[S](CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/2C4H10S.2ClH.Pt/c2*1-3-5-4-2;;;/h2*3-4H2,1-2H3;2*1H;/q;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=DCIVLRIRJUWCIS-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | (SP-4-2)-Dichlorobis[1,1′-thiobis[ethane]]platinum | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -2.4756999999999962 | RDKit |
| -2.4757 | RDKit | |
| Molar Refractivity | 57.346000000000046 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 445.0031391 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 446.37 g/mol. Edit any field — others recompute live.
