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71921-91-0

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Basic Information
CAS No.: 71921-91-0
Name: 3-METHYL-5-(S)-ISOPROPYL HYDANTOIN
Article Data: 7
Molecular Structure:
Molecular Structure of 71921-91-0 (3-METHYL-5-(S)-ISOPROPYL HYDANTOIN)
Formula: C7H12N2O2
Molecular Weight: 156.184
Synonyms: 3-Methyl-5-(S)-isopropyl hydantoin;
Density: 1.108 g/cm3
PSA: 49.41000
LogP: 0.45930
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Specification

The (5S)-5-Isopropyl-3-methyl-2,4-imidazolidinedione, with the CAS registry number 71921-91-0, is also known as 3-Methyl-5-(S)-isopropyl hydantoin. It belongs to the product categories of Heterocyclic Compounds; Heterocycles; Hydantoins & Derivatives. This chemical's molecular formula is C7H12N2O2 and molecular weight is 156.18. What's more, its systematic name is (5S)-5-Isopropyl-3-methyl-2,4-imidazolidinedione. 

Physical properties of (5S)-5-Isopropyl-3-methyl-2,4-imidazolidinedione are: (1)ACD/LogP: -0.085; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.09; (4)ACD/LogD (pH 7.4): -0.11; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 21.40; (8)ACD/KOC (pH 7.4): 20.37; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.41 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 39.583 cm3; (15)Molar Volume: 140.908 cm3; (16)Polarizability: 15.692×10-24cm3; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 1.108 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)[C@H]1C(=O)N(C(=O)N1)C
(2)Std. InChI: InChI=1S/C7H12N2O2/c1-4(2)5-6(10)9(3)7(11)8-5/h4-5H,1-3H3,(H,8,11)/t5-/m0/s1
(3)Std. InChIKey: LMBVKYNWQBSNIR-YFKPBYRVSA-N