m-Tolyl-thiourea
m-Tolyl-thiourea structure
|
Common Name | m-Tolyl-thiourea | ||
|---|---|---|---|---|
| CAS Number | 621-40-9 | Molecular Weight | 166.243 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 280.7±33.0 °C at 760 mmHg | |
| Molecular Formula | C8H10N2S | Melting Point | 120-122ºC | |
| MSDS | N/A | Flash Point | 123.6±25.4 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (3-methylphenyl)thiourea |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 280.7±33.0 °C at 760 mmHg |
| Melting Point | 120-122ºC |
| Molecular Formula | C8H10N2S |
| Molecular Weight | 166.243 |
| Flash Point | 123.6±25.4 °C |
| Exact Mass | 166.056473 |
| PSA | 70.14000 |
| LogP | 1.19 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.696 |
| InChIKey | JODPVHLKQIOIIW-UHFFFAOYSA-N |
| SMILES | Cc1cccc(NC(N)=S)c1 |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | 26-36/37/39 |
| HS Code | 2930909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~89%
m-Tolyl-thiourea CAS#:621-40-9 |
| Literature: Wang, Xuemei; Xu, Feng; Xu, Qingge; Mahmud, Hossen; Houze, Jonathan; Zhu, Liusheng; Akerman, Michelle; Tonn, George; Tang, Liang; McMaster, Brian E.; Dairaghi, Daniel J.; Schall, Thomas J.; Collins, Tassie L.; Medina, Julio C. Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 10 p. 2800 - 2803 |
|
~%
m-Tolyl-thiourea CAS#:621-40-9 |
| Literature: Archiv der Pharmazie, , vol. 341, # 8 p. 491 - 496 |
|
~96%
m-Tolyl-thiourea CAS#:621-40-9 |
| Literature: Uberhande; Thakare; Berad Journal of the Indian Chemical Society, 2010 , vol. 87, # 9 p. 1137 - 1141 |
|
~%
m-Tolyl-thiourea CAS#:621-40-9 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 16, # 10 p. 2800 - 2803 |
|
~%
m-Tolyl-thiourea CAS#:621-40-9 |
| Literature: Chemische Berichte, , vol. 8, p. 716 |
|
~%
m-Tolyl-thiourea CAS#:621-40-9 |
| Literature: Journal of Pharmacology and Experimental Therapeutics, , vol. 57, p. 19,22 |
|
~%
m-Tolyl-thiourea CAS#:621-40-9 |
| Literature: Chemische Berichte, , vol. 8, p. 716 |
|
~%
m-Tolyl-thiourea CAS#:621-40-9 |
| Literature: Chemische Berichte, , vol. 8, p. 716 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 7 | |
![7-Methylbenzo[d]thiazol-2-amine structure](https://image.chemsrc.com/caspic/170/14779-18-1.png)
CAS#:14779-18-1
CAS#:14779-17-0
CAS#:3085-53-8
CAS#:63-99-0
CAS#:315702-99-9
CAS#:3323-84-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
|
|
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
|
|
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
|
|
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
|
|
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
|
|
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
|
|
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
|
|
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
|
|
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
|
|
Name: Inhibition of melanogenesis in mouse B16 cells
Source: ChEMBL
Target: B16
External Id: CHEMBL1113022
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-m-tolylthiocarbamide |
| EINECS 210-686-5 |
| 1-m-Tolyl thiourea |
| 3-Tolylthiourea |
| MFCD00060451 |
| m-Tolyl-2-thiourea |
| 1-(3-Methylphenyl)thiourea |
| 3-methylphenylthiourea |
| m-Tolyl-thiourea |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of (3-methylphenyl)thiourea? |
| A: SMILES notation of (3-methylphenyl)thiourea is Cc1cccc(NC(N)=S)c1. |
| Q: What are the upstream materials of (3-methylphenyl)thiourea? |
| A: Related upstream materials(CAS) of (3-methylphenyl)thiourea: 4949-87-5;108-44-1;638-03-9;621-30-7;333-20-0;620-51-9;60-29-7;7664-41-7. |
| Q: What is the molecular weight of (3-methylphenyl)thiourea? |
| A: Molecular weight of (3-methylphenyl)thiourea is 166.243. |
| Q: What is the safety information for (3-methylphenyl)thiourea? |
| A: Safety information for (3-methylphenyl)thiourea: 26-36/37/39. |
| Q: What is the melting point of (3-methylphenyl)thiourea? |
| A: Melting point of (3-methylphenyl)thiourea is 120-122ºC. |
| Q: What is the polar surface area (PSA) of (3-methylphenyl)thiourea? |
| A: Polar surface area (PSA) of (3-methylphenyl)thiourea is 70.14000. |
| Q: What is the InChIKey of (3-methylphenyl)thiourea? |
| A: InChIKey of (3-methylphenyl)thiourea is JODPVHLKQIOIIW-UHFFFAOYSA-N. |
| Q: What is the LogP of (3-methylphenyl)thiourea? |
| A: LogP of (3-methylphenyl)thiourea is 1.19. |
| Q: What is the boiling point of (3-methylphenyl)thiourea? |
| A: Boiling point of (3-methylphenyl)thiourea is 280.7±33.0 °C at 760 mmHg. |
| Q: What is the English name of (3-methylphenyl)thiourea? |
| A: The English name of (3-methylphenyl)thiourea is (3-methylphenyl)thiourea. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |