(3-FLUOROPHENYL)THIOUREA

Modify Date: 2025-08-25 17:24:22

(3-FLUOROPHENYL)THIOUREA Structure
(3-FLUOROPHENYL)THIOUREA structure
 Common Name (3-FLUOROPHENYL)THIOUREA
CAS Number 458-05-9 Molecular Weight 170.20700
Density 1.397g/cm3 Boiling Point 259.3ºC at 760mmHg
Molecular Formula C7H7FN2S Melting Point 114-117 °C(lit.)
MSDS Chinese USA Flash Point 110.6ºC
Symbol GHS06
GHS06		 Signal Word Danger

 Names

Name 1-(3-fluorophenyl)-2-thiourea
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.397g/cm3
Boiling Point 259.3ºC at 760mmHg
Melting Point 114-117 °C(lit.)
Molecular Formula C7H7FN2S
Molecular Weight 170.20700
Flash Point 110.6ºC
Exact Mass 170.03100
PSA 70.14000
LogP 2.25450
Vapour Pressure 0.0131mmHg at 25°C
Index of Refraction 1.692
InChIKey YKOBLHQALWQKTC-UHFFFAOYSA-N
SMILES NC(=S)Nc1cccc(F)c1

 Safety Information

Symbol GHS06
GHS06
Signal Word Danger
Hazard Statements H301-H315-H319-H335
Precautionary Statements P261-P301 + P310-P305 + P351 + P338
Personal Protective Equipment Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes T: Toxic;Xi: Irritant;
Risk Phrases R25
Safety Phrases S26-S36-S45
RIDADR UN 2811 6.1/PG 3
WGK Germany 3
Packaging Group II
Hazard Class 6.1
HS Code 2930909090

 Synthetic Route

3-fluoroaniline structure

3-fluoroaniline

CAS#:372-19-0

ammonium;thiocyanate structure

ammonium;thiocyanate

CAS#:1147550-11-5

~88%

(3-FLUOROPHENYL)THIOUREA Structure

(3-FLUOROPHENYL...

CAS#:458-05-9

Literature: Wang, Min; Gao, Mingzhang; Mock, Bruce H.; Miller, Kathy D.; Sledge, George W.; Hutchins, Gary D.; Zheng, Qi-Huang Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 24 p. 8599 - 8607
3-fluoroaniline structure

3-fluoroaniline

CAS#:372-19-0

~%

(3-FLUOROPHENYL)THIOUREA Structure

(3-FLUOROPHENYL...

CAS#:458-05-9

Literature: Bayer Aktiengesellschaft Patent: US5356864 A1, 1994 ;
1-BENZOYL-3-(3-FLUOROPHENYL)THIOUREA structure

1-BENZOYL-3-(3-...

CAS#:82635-62-9

~61%

(3-FLUOROPHENYL)THIOUREA Structure

(3-FLUOROPHENYL...

CAS#:458-05-9

Literature: Gupta, K. A.; Saxena, Anil K.; Jain, Padam C. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1982 , vol. 21, # 3 p. 228 - 233
m-Fluorophenyl isothiocyanate structure

m-Fluorophenyl ...

CAS#:404-72-8

~%

(3-FLUOROPHENYL)THIOUREA Structure

(3-FLUOROPHENYL...

CAS#:458-05-9

Literature: Browne; Dyson Journal of the Chemical Society, 1931 , p. 3285,3299

 Customs

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%

 (3-FLUOROPHENYL)THIOUREABioassay

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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: 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: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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 Synonyms

MFCD00041167
N-(3-Fluorophenyl)thiourea
1-(3-Fluorophenyl)Thiourea
1-(3-Fluorophenyl)-2-thiourea
(3-fluorophenyl)thiourea
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