1H-Indazole-3-carbothioamide supplier

Name
1H-Indazole-3-carbothioamide
EINECS
CAS No. 28751-69-1
Article Data1
CAS DataBase
Density 1.488 g/cm³
Solubility
Melting Point 216-217 °C
Formula C₈H₇N₃S
Boiling Point 352.618 °C at 760 mmHg
Molecular Weight 177.23
Flash Point 167.058 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Indazole-3-carboxamide,thio- (8CI);
PSA 86.79000
LogP 1.89740

1H-Indazole-3-carbothioamide Specification

The 1H-Indazole-3-carbothioamide, with the CAS registry number of 28751-69-1, is also known as 1H-Indazole-3-carboxamide,thio- (8CI). This chemical's molecular formula is C₈H₇N₃S and molecular weight is 177.0. What's more, its systematic name is 1H-Indazole-3-carbimidothioic acid.

Physical properties about the 1H-Indazole-3-carbothioamide are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 91.33 Å²; (11)Index of Refraction: 1.773; (12)Molar Refractivity: 49.661 cm³; (13)Molar Volume: 119.132 cm³; (14)Surface Tension: 58.244 dyne/cm; (15)Density: 1.488 g/cm³; (16)Flash Point: 167.058 °C; (17)Enthalpy of Vaporization: 57.388 kJ/mol; (18)Boiling Point: 352.618 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N=C(S)c2nnc1ccccc12
(2) InChI: InChI=1/C8H7N3S/c9-8(12)7-5-3-1-2-4-6(5)10-11-7/h1-4H,(H2,9,12)(H,10,11)
(3) InChIKey: YFXRXRMNOOOQSS-UHFFFAOYAT

Product Name

1H-Indazole-3-carbothioamide

1H-Indazole-3-carbothioamide Specification

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