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439108-81-3 | 1-(1,3-THIAZOL-2-YL)-1H-PYRROLE-2-CARBONITRILE
CAS No: 439108-81-3 Catalog No: AG00DIYK MDL No:MFCD03012931
Product Description
Catalog Number:
AG00DIYK
Chemical Name:
1-(1,3-THIAZOL-2-YL)-1H-PYRROLE-2-CARBONITRILE
CAS Number:
439108-81-3
Molecular Formula:
C8H5N3S
Molecular Weight:
175.2104
MDL Number:
MFCD03012931
IUPAC Name:
1-(1,3-thiazol-2-yl)pyrrole-2-carbonitrile
InChI:
InChI=1S/C8H5N3S/c9-6-7-2-1-4-11(7)8-10-3-5-12-8/h1-5H
InChI Key:
VPAIWWAIPXYULB-UHFFFAOYSA-N
SMILES:
N#Cc1cccn1c1nccs1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.209g/mol
Monoisotopic Mass:
175.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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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