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N-(4-Hydroxyphenyl)Thiourea
CAS: 1520-27-0 | C7H8N2OS
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
1520-27-0
Molecular Formula:
C7H8N2OS
Molecular Mass:
168.22 g/mol
Names and Synonyms:
N-(4-Hydroxyphenyl)Thiourea
Thiourea, N-(4-hydroxyphenyl)-
Urea, 1-(p-hydroxyphenyl)-2-thio-
Thiourea, (4-hydroxyphenyl)-
N-(4-Hydroxyphenyl)thiourea
p-Hydroxyphenylthiourea
4-Hydroxyphenylthiourea
4-Thioureidophenol
NSC 43638
1-(4-Hydroxyphenyl)thiourea
1-(4-Hydroxyphenyl)-2-thiourea
Identifiers:
SMILES:
N=C(S)Nc1ccc(O)cc1
InChI:
InChI=1S/C7H8N2OS/c8-7(11)9-5-1-3-6(10)4-2-5/h1-4,10H,(H3,8,9,11)
Key Properties
Melting Point
214 °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 | 168.22 g/mol | CAS Common Chemistry |
| 168.221 g/mol | RDKit | |
| 168.035733876 g/mol | RDKit | |
| Canonical SMILES | S=C(N)NC1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2OS/c8-7(11)9-5-1-3-6(10)4-2-5/h1-4,10H,(H3,8,9,11) | CAS Common Chemistry |
| InChI Key | InChIKey=QICKOOCQSYZYQB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 214 °C | CAS Common Chemistry |
| Name | N-(4-Hydroxyphenyl)thiourea | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 56.11 Ų | RDKit |
| LogP | 1.6686699999999997 | RDKit |
| Molar Refractivity | 48.44220000000002 | RDKit |
