Back to Search
Borane Dimethylsulfide
CAS: 13292-87-0 | C2H9BS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13292-87-0
Molecular Formula:
C2H9BS
Molecular Mass:
75.97 g/mol
Names and Synonyms:
Borane Dimethylsulfide
Methane, thiobis-, boron complex
Boron, trihydro[thiobis[methane]]-, (T-4)-
Methyl sulfide, compd. with borane (1:1)
Borane, compd. with thiobis[methane] (1:1)
Methyl sulfide, compd. with BH3
Borine, compd. with Me2S
Borane, compd. with methyl sulfide (1:1)
Methane, thiobis-, compd. with borane (1:1)
(T-4)-Trihydro[thiobis[methane]]boron
Dimethylsulfane compd. with borane (1:1)
BMS
Borane-dimethyl sulfide (1:1)
Borane-dimethyl sulfide complex (1:1)
(Dimethyl sulfide)borane
(Dimethyl sulfide)trihydroboron
Trihydrido(dimethyl sulfide)boron
Trihydro(dimethyl sulfide)boron
Borane-dimethylsulfide complex
Dimethylsulfide trihydroborane
Identifiers:
SMILES:
[BH3-][S+](C)C
InChI:
InChI=1S/C2H9BS/c1-4(2)3/h1-3H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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 |
| Molar Refractivity | 29.15199999999999 | RDKit |
