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Bis(Dimethylthiocarbamylthio)Methyl Arsine
CAS: 2445-07-0 | C7H15AsN2S4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
2445-07-0
Molecular Formula:
C7H15AsN2S4
Molecular Mass:
330.40 g/mol
Names and Synonyms:
Bis(Dimethylthiocarbamylthio)Methyl Arsine
Carbamodithioic acid, N,N-dimethyl-, C,C′-bis(anhydrosulfide) with As-methylarsonodithious acid
Carbamic acid, dimethyldithio-, bis(anhydrosulfide) with dithiomethanearsonous acid
Carbamodithioic acid, dimethyl-, bis(anhydrosulfide) with methylarsonodithious acid
Bis(dimethylthiocarbamylthio)methyl arsine
Methyl arsine-bis(dimethyldithiocarbamate)
Methylbis(dimethylthiocarbamoylthio)arsine
Urbacid
Urbacide
Identifiers:
SMILES:
CN(C)C(=S)S[As](C)SC(=S)N(C)C
InChI:
InChI=1S/C7H15AsN2S4/c1-8(13-6(11)9(2)3)14-7(12)10(4)5/h1-5H3
Key Properties
Melting Point
144 °C
CAS Common Chemistry
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 | 330.40 g/mol | CAS Common Chemistry |
| 330.40100000000007 g/mol | RDKit | |
| 329.93340398000004 g/mol | RDKit | |
| Canonical SMILES | S=C(S[As](SC(=S)N(C)C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H15AsN2S4/c1-8(13-6(11)9(2)3)14-7(12)10(4)5/h1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FRDDEJAABOMVCH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 144 °C | CAS Common Chemistry |
| Name | Bis(dimethylthiocarbamylthio)methyl arsine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 2.2638 | RDKit |
| Molar Refractivity | 79.37000000000003 | RDKit |
