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20300-02-1

20300-02-1 | 2-Thiophenecarbothioamide

CAS No: 20300-02-1 Catalog No: AG0028NA MDL No:MFCD00052890

Product Description

Catalog Number:
AG0028NA
Chemical Name:
2-Thiophenecarbothioamide
CAS Number:
20300-02-1
Molecular Formula:
C5H5NS2
Molecular Weight:
143.2299
MDL Number:
MFCD00052890
IUPAC Name:
thiophene-2-carbothioamide
InChI:
InChI=1S/C5H5NS2/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7)
InChI Key:
HDXYHAPUCGQOBX-UHFFFAOYSA-N
SMILES:
NC(=S)c1cccs1

Properties

Complexity:
103  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.986g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
143.222g/mol
Monoisotopic Mass:
142.986g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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