Back to Search
Molecule
Cartap Hydrochloride
CAS: 15263-52-2 · C7H16ClN3O2S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 15263-52-2
- Molecular Formula
- C7H16ClN3O2S2
- Molecular Mass
- 273.81 g/mol
Identifiers
CAS Registry Number
15263-52-2
SMILES
CN(C)C(CSC(=N)O)CSC(=N)O.Cl
InChI Key
MSHXTAQSSIEBQS-UHFFFAOYSA-N
InChI
InChI=1S/C7H15N3O2S2.ClH/c1-10(2)5(3-13-6(8)11)4-14-7(9)12;/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12);1H
Names and Synonyms
- Cartap Hydrochloride Synonym
- Carbamothioic acid, SC,SC′-[2-(dimethylamino)-1,3-propanediyl] ester, hydrochloride (1:1) Synonym
- Carbamic acid, thio-, S,S′-[2-(dimethylamino)trimethylene] ester, monohydrochloride Synonym
- Carbamothioic acid, S,S′-[2-(dimethylamino)-1,3-propanediyl] ester, monohydrochloride Synonym
- 1,3-Propanedithiol, 2-(dimethylamino)-, dicarbamate (ester), monohydrochloride Synonym
- NTD 2 Synonym
- 2-(Dimethylamino)-1,3-propanedithiol dicarbamate hydrochloride Synonym
- Cartap hydrochloride Synonym
- Padan Synonym
- 1,3-Bis(carbamoylthio)-2-(N,N-dimethylamino)propane hydrochloride Synonym
- Vegetox Synonym
- Padan 4G Synonym
- Caldan Synonym
- Suntap Synonym
- Padan SG Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 273.81 g/mol | CAS Common Chemistry |
| 273.811 g/mol | RDKit | |
| 273.794 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(SCC(N(C)C)CSC(=O)N)N | CAS Common Chemistry |
| InChI | InChI=1S/C7H15N3O2S2.ClH/c1-10(2)5(3-13-6(8)11)4-14-7(9)12;/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12);1H | CAS Common Chemistry |
| InChI Key | InChIKey=MSHXTAQSSIEBQS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cartap hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 91.40000000000002 Ų | RDKit |
| 91.4 Ų | RDKit | |
| LogP | 1.79034 | RDKit |
| 1.7903 | RDKit | |
| Molar Refractivity | 70.35000000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7143 | RDKit |
| 0.71 | chempirical lib | |
| Exact Mass | 273.03724643199996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 273.81 g/mol. Edit any field — others recompute live.
