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Molecule
Borane Dimethylsulfide
CAS: 13292-87-0 · C2H9BS
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13292-87-0
- Molecular Formula
- C2H9BS
- Molecular Mass
- 75.97 g/mol
Identifiers
CAS Registry Number
13292-87-0
SMILES
[BH3-][S+](C)C
InChI Key
IRTZFNXVGJHNHS-UHFFFAOYSA-N
InChI
InChI=1S/C2H9BS/c1-4(2)3/h1-3H3
Names and Synonyms
- Borane Dimethylsulfide Synonym
- Methane, thiobis-, boron complex Synonym
- Boron, trihydro[thiobis[methane]]-, (T-4)- Synonym
- Methyl sulfide, compd. with borane (1:1) Synonym
- Borane, compd. with thiobis[methane] (1:1) Synonym
- Methyl sulfide, compd. with BH3 Synonym
- Borine, compd. with Me2S Synonym
- Borane, compd. with methyl sulfide (1:1) Synonym
- Methane, thiobis-, compd. with borane (1:1) Synonym
- (T-4)-Trihydro[thiobis[methane]]boron Synonym
- Dimethylsulfane compd. with borane (1:1) Synonym
- BMS Synonym
- Borane-dimethyl sulfide (1:1) Synonym
- Borane-dimethyl sulfide complex (1:1) Synonym
- (Dimethyl sulfide)borane Synonym
- (Dimethyl sulfide)trihydroboron Synonym
- Trihydrido(dimethyl sulfide)boron Synonym
- Trihydro(dimethyl sulfide)boron Synonym
- Borane-dimethylsulfide complex Synonym
- Dimethylsulfide trihydroborane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 75.97 g/mol | CAS Common Chemistry |
| 75.973 g/mol | RDKit | |
| 76.05180168799998 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Borane_dimethylsulfide | CAS Common Chemistry |
| Canonical SMILES | [H-][B+3]([H-])([H-])[S](C)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H9BS/c1-4(2)3/h1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IRTZFNXVGJHNHS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Dimethyl sulfide)trihydroboron | CAS Common Chemistry |
| Borane dimethylsulfide | CAS Common Chemistry | |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -0.8553000000000002 | RDKit |
| -0.8553 | RDKit | |
| Molar Refractivity | 29.15199999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 75.964 g/mol | chempirical lib |
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
180
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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.
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MW = 75.97 g/mol. Edit any field — others recompute live.
