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Molecule
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
Identifiers
CAS Registry Number
2445-07-0
SMILES
CN(C)C(=S)S[As](C)SC(=S)N(C)C
InChI Key
FRDDEJAABOMVCH-UHFFFAOYSA-N
InChI
InChI=1S/C7H15AsN2S4/c1-8(13-6(11)9(2)3)14-7(12)10(4)5/h1-5H3
Names and Synonyms
- Bis(Dimethylthiocarbamylthio)Methyl Arsine Synonym
- Carbamodithioic acid, N,N-dimethyl-, C,C′-bis(anhydrosulfide) with As-methylarsonodithious acid Synonym
- Carbamic acid, dimethyldithio-, bis(anhydrosulfide) with dithiomethanearsonous acid Synonym
- Carbamodithioic acid, dimethyl-, bis(anhydrosulfide) with methylarsonodithious acid Synonym
- Bis(dimethylthiocarbamylthio)methyl arsine Synonym
- Methyl arsine-bis(dimethyldithiocarbamate) Synonym
- Methylbis(dimethylthiocarbamoylthio)arsine Synonym
- Urbacid Synonym
- Urbacide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 330.40 g/mol | CAS Common Chemistry |
| 330.40100000000007 g/mol | RDKit | |
| 330.401 g/mol | RDKit | |
| 330.373 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7143 | RDKit |
| 0.71 | chempirical lib | |
| Exact Mass | 329.93340398000004 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 |
|---|
200 ppm
180
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40
20
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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.
External Resources
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MW = 330.40 g/mol. Edit any field — others recompute live.
