CAS
53827-27-3 Purity
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53827-27-3 Purity
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2-Benzyl-2-thiopseudourea hydrochloride
CAS
538-28-3
Catalog Number
ACM538283
Category
Other Products
Molecular Weight
202.70
Molecular Formula
C8H10N2S.HCl
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Specification
Synonyms
tl944; btkh; S-benzylisothiouronium hydrochloride; 2-benzyl-2-thio-pseudourea hydrochloride; S-(benzyl)isothiourea hydrochloride; benzylthiuroniumchloride; benzylthiouronium chloride; Benzylthiuronium salt; benzyl Isothiourea HCl; 2-Benzyl-2-thiopseudoure
IUPAC Name
benzyl carbamimidothioate hydrochloride
Canonical SMILES
C1=CC=C(C=C1)CSC(=N)N.Cl
InChI Key
WJAASTDRAAMYNK-UHFFFAOYSA-N
Boiling Point
283.2ºC at 760mmHg
Melting Point
177-179ºC
Flash Point
125.1ºC
Appearance
White crystals and chunks.
EC Number
208-688-6
Exact Mass
202.03300
Hazard Statements
T:Toxic;
H-Bond Acceptor
2
H-Bond Donor
3
Packing Group
II
Safety Description
S28-S45
Stability
Stable under normal temperatures and pressures.
WGK Germany
3
Upstream Synthesis Route 1
- 100-44-7
- 17356-08-0
- 538-28-3
Reference: [1] Analytical Chemistry, 1987, vol. 59, # 4, p. 562 - 567
Upstream Synthesis Route 2
- 100-39-0
- 17356-08-0
- 538-28-3
Reference: [1] Chemistry - A European Journal, 2014, vol. 20, # 6, p. 1495 - 1499
Upstream Synthesis Route 3
- 17356-08-0
- 100-51-6
- 538-28-3
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 1996, vol. 6, # 23, p. 2827 - 2830
Downstream Synthesis Route 1
- 2528-00-9
- 538-28-3
- 91903-26-3
Reference: [1]Izvestiya Akademii Nauk Armyanskoi SSR, Khimicheskie Nauki,1959,vol. 12,p. 63,69
Chem.Abstr.,1960,p. 6678
Downstream Synthesis Route 2
- 538-28-3
- 123-06-8
- 100137-41-5
Reference: [1]Patent: US2698326,1953,
Downstream Synthesis Route 3
- 16487-46-0
- 538-28-3
- 1939-99-7
Reference: [1]Bulletin de la Societe Chimique de France,1947,p. 797,805
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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