Back to Search
N-(2-Methoxyphenyl)Hydrazinecarbothioamide
CAS: 40207-02-1 | C8H11N3OS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
40207-02-1
Molecular Formula:
C8H11N3OS
Molecular Mass:
197.26 g/mol
Names and Synonyms:
N-(2-Methoxyphenyl)Hydrazinecarbothioamide
Hydrazinecarbothioamide, N-(2-methoxyphenyl)-
Semicarbazide, 4-(o-methoxyphenyl)-3-thio-
N-(2-Methoxyphenyl)hydrazinecarbothioamide
4-(o-Methoxyphenyl)-3-thiosemicarbazide
4-(o-Methoxyphenyl)thiosemicarbazide
4-(2-Methoxyphenyl)thiosemicarbazide
4-(2-Methoxyphenyl)-3-thiosemicarbazide
N-(2-Methoxyphenyl)thiosemicarbazide
1-Amino-3-(2-methoxyphenyl)thiourea
3-Amino-1-(2-methoxyphenyl)thiourea
Identifiers:
SMILES:
COc1ccccc1N=C(S)NN
InChI:
InChI=1S/C8H11N3OS/c1-12-7-5-3-2-4-6(7)10-8(13)11-9/h2-5H,9H2,1H3,(H2,10,11,13)
Key Properties
Melting Point
156 °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 | 197.26 g/mol | CAS Common Chemistry |
| 197.263 g/mol | RDKit | |
| 197.062282972 g/mol | RDKit | |
| Canonical SMILES | S=C(NN)NC=1C=CC=CC1OC | CAS Common Chemistry |
| InChI | InChI=1S/C8H11N3OS/c1-12-7-5-3-2-4-6(7)10-8(13)11-9/h2-5H,9H2,1H3,(H2,10,11,13) | CAS Common Chemistry |
| InChI Key | InChIKey=ZZRBYYMDUDFTNR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 156 °C | CAS Common Chemistry |
| Name | N-(2-Methoxyphenyl)hydrazinecarbothioamide | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 59.64 Ų | RDKit |
| LogP | 1.0757999999999999 | RDKit |
| Molar Refractivity | 56.39810000000002 | RDKit |
