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 Weight:
75.973 g/mol
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 75.97 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Borane_dimethylsulfide None | Legacy Database |
| cas-canonical-smile | [H-][B+3]([H-])([H-])[S](C)C None | Legacy Database |
| cas-inchi | InChI=1S/C2H9BS/c1-4(2)3/h1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=IRTZFNXVGJHNHS-UHFFFAOYSA-N None | Legacy Database |
| cas-name | (Dimethyl sulfide)trihydroboron None | Legacy Database |
| wikipedia-name | Borane dimethylsulfide None | Legacy Database |
| LogP | -0.8553000000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 75.973 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 76.05180168799998 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.15199999999999 | RDKit |