Name: Name:1,4-Benzodioxin-2-carbothioamide, 2,3-dihydro-
Brand: Angene
SKU: AG001EK8
Rating: 90 (10 reviews)

1,4-Benzodioxin-2-carbothioamide, 2,3-dihydro-

CAS No.:

147031-85-4

Catalog Number:

AG001EK8

Molecular Formula:

C9H9NO2S

Molecular Weight:

195.2383

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Product Description

Catalog Number:

AG001EK8

Chemical Name:

1,4-Benzodioxin-2-carbothioamide, 2,3-dihydro-

CAS Number:

147031-85-4

Molecular Formula:

C9H9NO2S

Molecular Weight:

195.2383

MDL Number:

MFCD00084889

IUPAC Name:

2,3-dihydro-1,4-benzodioxine-3-carbothioamide

InChI:

InChI=1S/C9H9NO2S/c10-9(13)8-5-11-6-3-1-2-4-7(6)12-8/h1-4,8H,5H2,(H2,10,13)

InChI Key:

ZOHVHNZPAGHKKO-UHFFFAOYSA-N

SMILES:

NC(=S)C1COc2c(O1)cccc2

Properties

Complexity:

210

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

195.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

195.236g/mol

Monoisotopic Mass:

195.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Properties