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CAS No.: | 21198-18-5 |
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Name: | 4-CYCLOHEXYL-3-THIOSEMICARBAZIDE |
Article Data: | 56 |
Molecular Structure: | |
Formula: | C7H15N3S |
Molecular Weight: | 173.282 |
Synonyms: | Semicarbazide,4-cyclohexyl-3-thio- (6CI,7CI,8CI);4-Cyclohexyl-3-thiosemicarbazide;4-Cyclohexylthiosemicarbazide;N-Cyclohexylhydrazinecarbothioamide;N-Cyclohexylthiosemicarbazide;NSC 82337;(Cyclohexylamino)hydrazinomethane-1-thione;Semicarbazide, 4-cyclohexyl-3-thio-;1-Amino-3-cyclohexylthiourea; |
Density: | 1.14 g/cm3 |
Melting Point: | 142 °C |
Boiling Point: | 281.3 °C at 760 mmHg |
Flash Point: | 123.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 82.17000 |
LogP: | 2.13900 |
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The Hydrazinecarbothioamide,N-cyclohexyl- with CAS registry number of 21198-18-5 is also known as Semicarbazide, 4-cyclohexyl-3-thio-. The IUPAC name is . It belongs to product categories of 1-Amino-3-cyclohexylthiourea. In addition, the formula is C7H15N3S and the molecular weight is 173.28.
Physical properties about Hydrazinecarbothioamide,N-cyclohexyl- are: (1)ACD/LogP: 1.24; (2)ACD/LogD (pH 5.5): 1.24; (3)ACD/LogD (pH 7.4): 1.24; (4)ACD/BCF (pH 5.5): 5.16; (5)ACD/BCF (pH 7.4): 5.15; (6)ACD/KOC (pH 5.5): 112.59; (7)ACD/KOC (pH 7.4): 112.4; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.581; (12)Molar Refractivity: 50.42 cm3; (13)Molar Volume: 151.1 cm3; (14)Surface Tension: 55 dyne/cm; (15)Density: 1.14 g/cm3; (16)Flash Point: 123.9 °C; (17)Enthalpy of Vaporization: 52.01 kJ/mol; (18)Boiling Point: 281.3 °C at 760 mmHg; (19)Vapour Pressure: 0.00359 mmHg at 25 °C.
Uses of Hydrazinecarbothioamide,N-cyclohexyl-: it is used to produce 4-cyclohexyl-2,4-dihydro-[1,2,4]triazole-3-thione by reaction with dimethoxymethyl-dimethyl-amine. The yield is about 74%.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. What's more, it is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1CCC(CC1)NC(=S)NN
2. InChI: InChI=1S/C7H15N3S/c8-10-7(11)9-6-4-2-1-3-5-6/h6H,1-5,8H2,(H2,9,10,11)
3. InChIKey: LVEUHPMMNLURRJ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
quail | LD50 | oral | > 316mg/kg (316mg/kg) | Ecotoxicology and Environmental Safety. Vol. 6, Pg. 149, 1982. |