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(4-Methoxyphenyl)Thiourea
CAS: 2293-07-4 | C8H10N2OS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2293-07-4
Molecular Formula:
C8H10N2OS
Molecular Mass:
182.25 g/mol
Names and Synonyms:
(4-Methoxyphenyl)Thiourea
Thiourea, N-(4-methoxyphenyl)-
Urea, 1-(p-methoxyphenyl)-2-thio-
Thiourea, (4-methoxyphenyl)-
N-(4-Methoxyphenyl)thiourea
N-(p-Methoxyphenyl)thiourea
(p-Methoxyphenyl)thiourea
(4-Methoxyphenyl)thiourea
p-Anisylthiourea
N-p-Anisylthiourea
1-(4-Methoxyphenyl)thiourea
4-Thioureidoanisole
1-(p-Methoxyphenyl)thiourea
NSC 402583
NSC 79869
Identifiers:
SMILES:
COc1ccc(NC(=N)S)cc1
InChI:
InChI=1S/C8H10N2OS/c1-11-7-4-2-6(3-5-7)10-8(9)12/h2-5H,1H3,(H3,9,10,12)
Key Properties
Melting Point
208 °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 | 182.25 g/mol | CAS Common Chemistry |
| 182.24800000000002 g/mol | RDKit | |
| 182.05138394 g/mol | RDKit | |
| Canonical SMILES | S=C(N)NC1=CC=C(OC)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2OS/c1-11-7-4-2-6(3-5-7)10-8(9)12/h2-5H,1H3,(H3,9,10,12) | CAS Common Chemistry |
| InChI Key | InChIKey=SRYLJBWDZZMDSK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 208 °C | CAS Common Chemistry |
| Name | (4-Methoxyphenyl)thiourea | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 45.11 Ų | RDKit |
| LogP | 1.9716699999999996 | RDKit |
| Molar Refractivity | 53.329400000000014 | RDKit |
