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125493-19-8 | 1-[(2Z)-3-methyl-2,3-dihydro-1,3-thiazol-2-ylidene]-3-(prop-2-en-1-yl)thiourea
CAS No: 125493-19-8 Catalog No: AG00LBRW MDL No:
Product Description
Catalog Number:
AG00LBRW
Chemical Name:
1-[(2Z)-3-methyl-2,3-dihydro-1,3-thiazol-2-ylidene]-3-(prop-2-en-1-yl)thiourea
CAS Number:
125493-19-8
Molecular Formula:
C8H11N3S2
Molecular Weight:
213.3230
IUPAC Name:
(1Z)-1-(3-methyl-1,3-thiazol-2-ylidene)-3-prop-2-enylthiourea
InChI:
InChI=1S/C8H11N3S2/c1-3-4-9-7(12)10-8-11(2)5-6-13-8/h3,5-6H,1,4H2,2H3,(H,9,12)/b10-8-
InChI Key:
WROOCHFCOMMYDE-NTMALXAHSA-N
SMILES:
C=CCNC(=S)/N=c/1\sccn1C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
213.039g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.317g/mol
Monoisotopic Mass:
213.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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