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Arotinolol CAS NO.68377-92-4
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Keywords
- 2-(3-tert-Butylamino-2-hydroxypropylthio)-4-(5-carbamoyl-2-thienyl)thiazole
- NSC 317940
- Arotinolol
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- ProName: Arotinolol
- CasNo: 68377-92-4
- Application: Molecular structure of Arotinolol (CAS...
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Superiority
Molecular structure of Arotinolol (CAS NO.68377-92-4) is:
Product Name: Arotinolol
CAS Registry Number: 68377-92-4
IUPAC Name: 5-[2-[3-(Tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide
Molecular Weight: 371.54114 [g/mol]
Molecular Formula: C15H21N3O2S3
XLogP3-AA: 2.3
H-Bond Donor: 3
H-Bond Acceptor: 4
Index of Refraction: 1.646
Molar Refractivity: 99.5 cm3
Molar Volume: 274 cm3
Surface Tension: 67.8 dyne/cm
Density: 1.35 g/cm3
Flash Point: 316.6 °C
Enthalpy of Vaporization: 93.9 kJ/mol
Boiling Point: 599.8 °C at 760 mmHg
Vapour Pressure: 3.09E-15 mmHg at 25 °C
Other Registry Number: 52560-77-7
Classification Code: Adrenergic alpha-Antagonists ; Adrenergic beta-Antagonists
Canonical SMILES: CC(C)(C)NCC(CSC1=NC(=CS1)C2=CC=C(S2)C(=O)N)O
InChI: InChI=1S/C15H21N3O2S3/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20)
InChIKey: BHIAIPWSVYSKJS-UHFFFAOYSA-N
Details
Molecular structure of Arotinolol (CAS NO.68377-92-4) is:
Product Name: Arotinolol
CAS Registry Number: 68377-92-4
IUPAC Name: 5-[2-[3-(Tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide
Molecular Weight: 371.54114 [g/mol]
Molecular Formula: C15H21N3O2S3
XLogP3-AA: 2.3
H-Bond Donor: 3
H-Bond Acceptor: 4
Index of Refraction: 1.646
Molar Refractivity: 99.5 cm3
Molar Volume: 274 cm3
Surface Tension: 67.8 dyne/cm
Density: 1.35 g/cm3
Flash Point: 316.6 °C
Enthalpy of Vaporization: 93.9 kJ/mol
Boiling Point: 599.8 °C at 760 mmHg
Vapour Pressure: 3.09E-15 mmHg at 25 °C
Other Registry Number: 52560-77-7
Classification Code: Adrenergic alpha-Antagonists ; Adrenergic beta-Antagonists
Canonical SMILES: CC(C)(C)NCC(CSC1=NC(=CS1)C2=CC=C(S2)C(=O)N)O
InChI: InChI=1S/C15H21N3O2S3/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20)
InChIKey: BHIAIPWSVYSKJS-UHFFFAOYSA-N