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53347-39-0

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Basic Information
CAS No.: 53347-39-0
Name: N-PENTYLHYDRAZINECARBOTHIOAMIDE
Molecular Structure:
Molecular Structure of 53347-39-0 (N-PENTYLHYDRAZINECARBOTHIOAMIDE)
Formula: C6H15N3S
Molecular Weight: 161.271
Synonyms: 4-Pentylthiosemicarbazide;
Density: 1.048g/cm3
Boiling Point: 244 °C at 760 mmHg
Flash Point: 101.4 °C
PSA: 89.21000
LogP: 2.01690
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Specification

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