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(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)(benzo[d][1,3]dioxol-5-yl)methanone

(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)(benzo[d][1,3]dioxol-5-yl)methanone - CAS 179327-06-1

Catalog:	BB052832
Product Name:	(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)(benzo[d][1,3]dioxol-5-yl)methanone
CAS:	179327-06-1
Synonyms:	(2-amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)(benzo[d][1,3]dioxol-5-yl)methanone

Technical Data

Computed Properties

IUPAC Name:	(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(1,3-benzodioxol-5-yl)methanone
Molecular Weight:	301.4
Molecular Formula:	C16H15NO3S
Canonical SMILES:	C1CCC2=C(C1)C(=C(S2)N)C(=O)C3=CC4=C(C=C3)OCO4
InChI:	InChI=1S/C16H15NO3S/c17-16-14(10-3-1-2-4-13(10)21-16)15(18)9-5-6-11-12(7-9)20-8-19-11/h5-7H,1-4,8,17H2
InChI Key:	SBHZYFJRHHNQHT-UHFFFAOYSA-N
Boiling Point:	583.2±50.0 °C at 760 mmHg
Density:	1.4±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Thiophenes

[38401-73-9]
5-(3-Nitrophenyl)-2-thiophenecarbaldehyde
[934080-82-7]
5-[(3,4-Dimethylphenoxy)methyl]thiophene-2-carboxylic acid
[74556-81-3]
5-[(3-Chlorophenoxy)methyl]thiophene-2-carboxylic acid
[113387-75-0]
Methyl 3-hydroxy-5-(1H-pyrazol-1-yl)thiophene-2-carboxylate
[13669-10-8]
Ethyl (2-thenoyl)acetate
[306934-99-6]
Ethyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate

Complexity:	418
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	301.07726451
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	301.07726451
Rotatable Bond Count:	2
Topological Polar Surface Area:	89.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2