Back to Search
Molecule
2-Aminobenzothiazole
CAS: 136-95-8 · C7H6N2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 136-95-8
- Molecular Formula
- C7H6N2S
- Molecular Mass
- 150.21 g/mol
Identifiers
CAS Registry Number
136-95-8
SMILES
N=c1[nH]c2ccccc2s1
InChI Key
UHGULLIUJBCTEF-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)
Names and Synonyms
- 2-Aminobenzothiazole Systematic Name
- 2-Benzothiazolamine Synonym
- Benzothiazole, 2-amino- Synonym
- Benzothiazole, 1-amino- Synonym
- Benzothiazoline, 2-imino- Synonym
- 2-Aminobenzothiazole Synonym
- 2(3H)-Benzothiazolimine Synonym
- 2-Benzothiazolylamine Synonym
- 2-Iminobenzothiazoline Synonym
- 1,3-Benzothiazol-2-ylamine Synonym
- NSC 4670 Synonym
- Benzo[d]thiazol-2-amine Synonym
- 2-Aminobenzo[d]thiazole Synonym
- ABT Synonym
- SKA 1 Synonym
- 1,3-Benzothiazol-2-amine Synonym
- Cerium ionophore I Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.21 g/mol | CAS Common Chemistry |
| 150.20599999999996 g/mol | RDKit | |
| 150.206 g/mol | RDKit | |
| 150.199 g/mol | chempirical lib | |
| Canonical SMILES | N1=C(SC=2C=CC=CC12)N | CAS Common Chemistry |
| InChI | InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=UHGULLIUJBCTEF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 132 °C | CAS Common Chemistry |
| Name | 2-Aminobenzothiazole | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 39.64 Ų | RDKit |
| LogP | 1.7088700000000001 | RDKit |
| 1.7089 | RDKit | |
| Molar Refractivity | 42.03040000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 150.025169192 g/mol | RDKit |
| Boiling Point | 190-195 °C @ 0.05 Torr | CAS Common Chemistry |
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 = 150.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H6N2S.
