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59749-95-0

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Basic Information
CAS No.: 59749-95-0
Name: 3-AMINO-N-CYCLOHEXYL-3-THIOXOPROPANAMIDE
Article Data: 3
Molecular Structure:
Molecular Structure of 59749-95-0 (3-AMINO-N-CYCLOHEXYL-3-THIOXOPROPANAMIDE)
Formula: C9H16N2OS
Molecular Weight: 200.30
Synonyms: 3-AMINO-N-CYCLOHEXYL-3-THIOXOPROPANAMIDE;TOSLAB 27038
Density: 1.15 g/cm3
Melting Point: 82 °C
PSA: 87.21000
LogP: 2.20270
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Specification

The Propanamide,3-amino-N-cyclohexyl-3-thioxo- has CAS registry number 59749-95-0. This chemical's molecular formula is C9H16N2OS and molecular weight is 200.30. What's more, its systematic name is 3-amino-N-cyclohexyl-3-thioxopropanamide.

Physical properties of Propanamide,3-amino-N-cyclohexyl-3-thioxo- are: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 1.91; (6)ACD/BCF (pH 7.4): 1.91; (7)ACD/KOC (pH 5.5): 55.33; (8)ACD/KOC (pH 7.4): 55.33; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.64 Å2; (13)Index of Refraction: 1.561 ; (14) Molar Refractivity: 56.15 cm3; (15)Molar Volume: 173.3 cm3; (16)Polarizability: 22.26×10-24cm3; (17)Surface Tension: 53.4 dyne/cm; (18)Density: 1.15 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC1CCCCC1)CC(=S)N
(2)Std. InChI: InChI=1S/C9H16N2OS/c10-8(13)6-9(12)11-7-4-2-1-3-5-7/h7H,1-6H2,(H2,10,13)(H,11,12)
(3)Std. InChIKey: YSSRLOJIPKHGCY-UHFFFAOYSA-N