CAS No.77651-38-8,2-AMINO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	77651-38-8
Name:	2-AMINO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXAMIDE
Article Data:	8

Formula:	C₈H₁₀N₂OS
Molecular Weight:	182.246
Synonyms:	2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid amide;2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide;4H-Cyclopenta[b]thiophene-3-carboxamide, 2-amino-5,6-dihydro-;2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophene-;3-carboxylic acid amide;
Density:	1.412 g/cm³
Melting Point:	169-171℃
Boiling Point:	308.2 °C at 760 mmHg
Flash Point:	140.2 °C
Hazard Symbols:	Xi
Risk Codes:	22-36/37/38
Safety:	26-36/37/39
PSA:	97.35000
LogP:	2.19940

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- China (Mainland)(27)
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Specification

The 7-amino-8-thiabicyclo[3.3.0]octa-6,9-diene-6-carboxamide, with the CAS registry number 77651-38-8, has the systematic name and IUPAC name of 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide. It belongs to the product category of Thiophene. And the molecular formula of the chemical is C₈H₁₀N₂OS.

The characteristics of 7-amino-8-thiabicyclo[3.3.0]octa-6,9-diene-6-carboxamide are as followings: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 1.33; (5)ACD/BCF (pH 5.5): 6.07; (6)ACD/BCF (pH 7.4): 6.07; (7)ACD/KOC (pH 5.5): 126.52; (8)ACD/KOC (pH 7.4): 126.53; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.79 Å²; (13)Index of Refraction: 1.702; (14)Molar Refractivity: 49.97 cm³; (15)Molar Volume: 128.9 cm³; (16)Polarizability: 19.81×10^-24cm³; (17)Surface Tension: 72.9 dyne/cm; (18)Density: 1.412 g/cm³; (19)Flash Point: 140.2 °C; (20)Enthalpy of Vaporization: 54.89 kJ/mol; (21)Boiling Point: 308.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000689 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1c2c(sc1N)CCC2)N
(2)InChI: InChI=1/C8H10N2OS/c9-7(11)6-4-2-1-3-5(4)12-8(6)10/h1-3,10H2,(H2,9,11)
(3)InChIKey: CIYGFKXNRTYHLB-UHFFFAOYAV