CAS No.177406-68-7,Benthiavalicarb-isopropyl Suppliers

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Basic Information

Molecular Structure:
CAS No.:	177406-68-7
Name:	Benthiavalicarb-isopropyl

Formula:	C₁₈H₂₄FN₃O₃S
Molecular Weight:	381.46
Synonyms:	Carbamicacid, [(1S)-1-[[[(1R)-1-(6-fluoro-2-benzothiazolyl)ethyl]amino]carbonyl]-2-methylpropyl]-,1-methylethyl ester (9CI);Carbamic acid,[1-[[[1-(6-fluoro-2-benzothiazolyl)ethyl]amino]carbonyl]-2-methylpropyl]-,1-methylethyl ester, [S-(R,S)]-;1-Methylethyl [(1S)-1-[[[(1R)-1-(6-fluoro-2-benzothiazolyl)ethyl]amino]carbonyl]-2-methylpropyl]carbamate;Benthiavalicarb isopropyl;
Density:	1.223 g/cm³
Melting Point:	152℃
Boiling Point:	550.583 °C at 760 mmHg
Flash Point:	286.782 °C
PSA:	108.56000
LogP:	4.55360

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Specification

This chemical is called Carbamic acid,N-[(1S)-1-[[[(1R)-1-(6-fluoro-2-benzothiazolyl)ethyl]amino]carbonyl]-2-methylpropyl]-,1-methylethyl ester, and its systematic name is propan-2-yl (1-{[1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]amino}-3-methyl-1-oxobutan-2-yl)carbamate. With the molecular formula of C₁₈H₂₄FN₃O₃S, its molecular weight is 381.46. The CAS registry number of this chemical is 177406-68-7. Additionally, its product categories are BA - BHPesticides; A-BAlphabetic; Alpha sort;B; Carbamates; Fungicides; Pesticides&Metabolites.

Other characteristics of the chemical can be summarised as followings: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 538; (6)ACD/BCF (pH 7.4): 538; (7)ACD/KOC (pH 5.5): 3137; (8)ACD/KOC (pH 7.4): 3136; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 108.56 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 100.683 cm³; (15)Molar Volume: 311.952 cm³; (16)Polarizability: 39.914×10^-24cm³; (17)Surface Tension: 44.724 dyne/cm; (18)Density: 1.223 g/cm³; (19)Flash Point: 286.782 °C; (20)Enthalpy of Vaporization: 83.069 kJ/mol; (21)Boiling Point: 550.583 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1
2.InChI: InChI=1/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15+/m1/s1
3.InChIKey: USRKFGIXLGKMKU-ABAIWWIYBB
4.Std. InChI: InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15+/m1/s1
5.Std. InChIKey: USRKFGIXLGKMKU-ABAIWWIYSA-N