CAS
3695-98-5 Purity
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3695-98-5 Purity
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1-(4-Nitrophenyl)-2-thiourea
CAS
3696-22-8
Catalog Number
ACM3696228
Category
Other Products
Molecular Weight
197.21
Molecular Formula
C7H7N3O2S
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Specification
Synonyms
(p-Nitrophenyl)thiourea, Thiourea, (4-nitrophenyl)-, 1-(4-Nitrophenyl)-2-thiourea, 1-(p-Nitrophenyl)-2-thiourea, 199370_ALDRICH, AIDS019499, AIDS-019499, NSC61006, EINECS 223-021-9, ZINC04244901, AI3-19634, 3696-22-8
IUPAC Name
(4-nitrophenyl)thiourea
SMILES
C1=CC(=CC=C1NC(=S)N)[N+](=O)[O-]
InChI Key
BLYAANPIHFKKMQ-UHFFFAOYSA-N
Boiling Point
365.5ºC at 760 mmHg
Melting Point
206ºC
Flash Point
174.9ºC
Density
1.524g/cm³
EC Number
223-021-9
Exact Mass
197.02600
H-Bond Acceptor
2
H-Bond Donor
2
Packing Group
II
Safety Description
S22-S36/37-S45
WGK Germany
3
Upstream Synthesis Route 1
- 40611-33-4
- 3696-22-8
Reference: [1]Kodomari, Mitsuo; Suzuki, Masato; Tanigawa, Keiko; Aoyama, Tadashi
[Tetrahedron Letters, 2005, vol. 46, # 35, p. 5841 - 5843]
Downstream Synthesis Route 1
- 3696-22-8
- 6285-57-0
Reference: [1] Journal of Chemical & Engineering Data, 1986, vol. 31, # 4, p. 501 - 502
Downstream Synthesis Route 2
- 3696-22-8
- 33288-79-8
- 82941-81-9
Reference: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1982,vol. 21,p. 162 - 164
Downstream Synthesis Route 3
- 3696-22-8
- 80395-50-2
Reference: [1]Hunter; Jones
[Journal of the Chemical Society, 1930, p. 2190,2209]
[2]Rothweiler, Ulli; Stensen, Wenche; Brandsdal, Bjørn Olav; Isaksson, Johan; Leeson, Frederick Alan; Engh, Richard Alan; Svendsen, John S. Mjøen
[Journal of Medicinal Chemistry, 2016, vol. 59, # 21, p. 9814 - 9824]
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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