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72677-72-6

72677-72-6 | (isoquinolin-5-yl)thiourea

CAS No: 72677-72-6 Catalog No: AG00IYKG MDL No:MFCD01568685

Product Description

Catalog Number:
AG00IYKG
Chemical Name:
(isoquinolin-5-yl)thiourea
CAS Number:
72677-72-6
Molecular Formula:
C10H9N3S
Molecular Weight:
203.2636
MDL Number:
MFCD01568685
IUPAC Name:
isoquinolin-5-ylthiourea
InChI:
InChI=1S/C10H9N3S/c11-10(14)13-9-3-1-2-7-6-12-5-4-8(7)9/h1-6H,(H3,11,13,14)
InChI Key:
XQPWHCXCGYRECQ-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1cccc2c1ccnc2

Properties

Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.052g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
203.263g/mol
Monoisotopic Mass:
203.052g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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

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