3-Chlorophenylthiourea

CAS

4947-89-1

Catalog Number

ACM4947891

Category

Other Products

Molecular Weight

186.66

Molecular Formula

C₇H₇ClN₂S

MSDS COA Spec Sheet

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Specification

Synonyms

N-(3-Chlorophenyl)thiourea; (3-chlorophenyl)thiourea; 1-(3-CHLOROPHENYL)-2-THIOUREA; 1-(3-Chlorophenyl)thiourea; 3-Chlorophenylthiourea;

IUPAC Name

(3-chlorophenyl)thiourea

Canonical SMILES

C1=CC(=CC(=C1)Cl)NC(=S)N

InChI Key

LSYZRUOXXOTVAV-UHFFFAOYSA-N

Boiling Point

296.7ºC at 760mmHg

Melting Point

137-138ºC

Flash Point

133.2ºC

Density

1.441g/cm³

Appearance

Almost whte crystals and chunks

Exact Mass

186.00200

Hazard Statements

T+: Very toxic;T: Toxic;

H-Bond Acceptor

H-Bond Donor

Packing Group

Safety Description

S22-S28-S36/37-S45

Downstream Synthesis Route 1

4947-89-1

20358-00-3
20358-01-4

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 14, p. 4839 - 4843
[2] Yakugaku Zasshi, 1957, vol. 77, p. 649,651[3] Chem.Abstr., 1957, p. 16435

Downstream Synthesis Route 2

4947-89-1

20358-00-3

Reference: [1] Medicinal Chemistry Research, 2012, vol. 21, # 7, p. 1136 - 1148
[2] Farmaco, Edizione Scientifica, 1982, vol. 37, # 3, p. 205 - 212
[3] Acta Poloniae Pharmaceutica - Drug Research, 2009, vol. 66, # 4, p. 387 - 392
[4] Journal of Heterocyclic Chemistry, 2011, vol. 48, # 6, p. 1351 - 1355
[5] Chemical Biology and Drug Design, 2016, p. 354 - 362

Downstream Synthesis Route 3

4947-89-1

20358-00-3
20358-01-4

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2012,vol. 22,p. 4839 - 4843
[2]Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan,1957,vol. 77,p. 649,651
Chem.Abstr.,1957,p. 16435