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Molecule
Phenol, 4-(1,1-Dimethylethyl)-, Polymer With Sulfur Chloride (S2Cl2)
CAS: 60303-68-6 · C10H14Cl2OS2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 60303-68-6
- Molecular Formula
- C10H14Cl2OS2
- Molecular Mass
- 285.26 g/mol
Identifiers
CAS Registry Number
60303-68-6
SMILES
CC(C)(C)c1ccc(O)cc1.ClSSCl
InChI Key
OXOOATYJNDTRAX-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O.Cl2S2/c1-10(2,3)8-4-6-9(11)7-5-8;1-3-4-2/h4-7,11H,1-3H3;
Names and Synonyms
- Phenol, 4-(1,1-Dimethylethyl)-, Polymer With Sulfur Chloride (S2Cl2) Synonym
- Phenol, 4-(1,1-dimethylethyl)-, polymer with sulfur chloride (S2Cl2) Synonym
- Sulfur chloride (S2Cl2), polymer with 4-(1,1-dimethylethyl)phenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 285.26 g/mol | CAS Common Chemistry |
| 285.26099999999997 g/mol | RDKit | |
| 285.261 g/mol | RDKit | |
| 285.241 g/mol | chempirical lib | |
| Canonical SMILES | ClSSCl.OC1=CC=C(C=C1)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H14O.Cl2S2/c1-10(2,3)8-4-6-9(11)7-5-8;1-3-4-2/h4-7,11H,1-3H3; | CAS Common Chemistry |
| InChI Key | InChIKey=OXOOATYJNDTRAX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Phenol, 4-(1,1-dimethylethyl)-, polymer with sulfur chloride (S2Cl2) | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 5.3651000000000035 | RDKit |
| 5.3651 | RDKit | |
| 5.12 | chempirical lib | |
| Molar Refractivity | 73.69480000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 283.98631242799996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| 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 = 285.26 g/mol. Edit any field — others recompute live.
