CAS
13431-36-2 Purity
96%
13431-36-2 Purity
96%
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Hydrazinecarbothioamide,N-(phenylmethyl)-
CAS
13431-41-9
Catalog Number
ACM13431419
Category
Other Products
Molecular Weight
181.26
Molecular Formula
C8H11N3S
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Specification
Synonyms
4-Benzylthiosemicarbazide, 4-Benzylthiosemicarbazone, MLS001006810, NSC263514, ZINC00164199, N-(Phenylmethyl)hydrazinecarbothioamide, FS000838, SMR000349691, Hydrazinecarbothioamide, N-(phenylmethyl)-, ST5211175, 13431-41-9
IUPAC Name
1-amino-3-(phenylmethyl)thiourea
Canonical SMILES
C1=CC=C(C=C1)CNC(=S)NN
InChI Key
ZTRUHAVBRPABTK-UHFFFAOYSA-N
Boiling Point
320.4ºC at 760mmHg
Melting Point
128ºC
Flash Point
147.6ºC
Density
1.22g/cm³
Exact Mass
181.06700
H-Bond Acceptor
1
H-Bond Donor
3
Packing Group
III
Safety Description
S22-S36/37
Upstream Synthesis Route 1
- 622-78-6
- 13431-41-9
Reference: [1]Location in patent: experimental part
Huang, He; Chen, Qin; Ku, Xin; Meng, Linghua; Lin, Liping; Wang, Xiang; Zhu, Caihua; Wang, Yi; Chen, Zhi; Li, Ming; Jiang, Hualiang; Chen, Kaixian; Ding, Jian; Liu, Hong
[Journal of Medicinal Chemistry, 2010, vol. 53, # 8, p. 3048 - 3064]
Downstream Synthesis Route 1
- 634-38-8
- 13431-41-9
- 73418-22-1
Reference: [1]Pharmazie,1979,vol. 34,p. 537 - 538
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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