Basic Information | Post buying leads | Suppliers |
Name |
Hydrazinecarbothioamide, N-pentyl- |
EINECS | N/A |
CAS No. | 53347-39-0 | Density | 1.048g/cm3 |
PSA | 89.21000 | LogP | 2.01690 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H15N3S | Boiling Point | 244 °C at 760 mmHg |
Molecular Weight | 161.271 | Flash Point | 101.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Pentylthiosemicarbazide; |
The Hydrazinecarbothioamide, N-pentyl-, with CAS registry number 53347-39-0, has the systematic name of N-pentylhydrazinecarbothioamide. Besides this, it is also called 4-Pentylthiosemicarbazide. And the chemical formula of this chemical is C6H15N3S.
Physical properties of Hydrazinecarbothioamide, N-pentyl-: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.31; (5)ACD/BCF (pH 5.5): 5.79; (6)ACD/BCF (pH 7.4): 5.78; (7)ACD/KOC (pH 5.5): 122.26; (8)ACD/KOC (pH 7.4): 122.12; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 41.81 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 47.86 cm3; (15)Molar Volume: 153.8 cm3; (16)Polarizability: 18.97×10-24cm3; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.048 g/cm3; (19)Flash Point: 101.4 °C; (20)Enthalpy of Vaporization: 48.11 kJ/mol; (21)Boiling Point: 244 °C at 760 mmHg; (22)Vapour Pressure: 0.0311 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C(NCCCCC)NN
(2)InChI: InChI=1/C6H15N3S/c1-2-3-4-5-8-6(10)9-7/h2-5,7H2,1H3,(H2,8,9,10)
(3)InChIKey: XNTMPLHUDNWDCQ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H15N3S/c1-2-3-4-5-8-6(10)9-7/h2-5,7H2,1H3,(H2,8,9,10)
(5)Std. InChIKey: XNTMPLHUDNWDCQ-UHFFFAOYSA-N