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Naphtho[1,2-D]Thiazol-2-Amine
CAS: 40172-65-4 | C11H8N2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
40172-65-4
Molecular Formula:
C11H8N2S
Molecular Mass:
200.27 g/mol
Names and Synonyms:
Naphtho[1,2-D]Thiazol-2-Amine
Naphtho[1,2-d]thiazol-2-amine
Naphtho[1,2-d]thiazole, 2-amino-
α-Naphthothiazole, 1-amino-
2-Aminonaphtho[1,2-d]thiazole
2-Aminonaphthiazole
NSC 6278
SKA 31
Identifiers:
SMILES:
N=c1[nH]c2c(ccc3ccccc32)s1
InChI:
InChI=1S/C11H8N2S/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-6H,(H2,12,13)
Key Properties
Melting Point
235-237 °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 | 200.27 g/mol | CAS Common Chemistry |
| 200.266 g/mol | RDKit | |
| 200.040819256 g/mol | RDKit | |
| Canonical SMILES | N1=C(SC2=CC=C3C=CC=CC3=C12)N | CAS Common Chemistry |
| InChI | InChI=1S/C11H8N2S/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-6H,(H2,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=FECQXVPRUCCUIL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 235-237 °C | CAS Common Chemistry |
| Name | Naphtho[1,2-d]thiazol-2-amine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 39.64 Ų | RDKit |
| LogP | 2.862070000000001 | RDKit |
| Molar Refractivity | 59.536400000000015 | RDKit |
