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614-23-3 | N-Carbamothioylbenzamide
CAS No: 614-23-3 Catalog No: AG003DZ2 MDL No:MFCD00041191
Product Description
Catalog Number:
AG003DZ2
Chemical Name:
N-Carbamothioylbenzamide
CAS Number:
614-23-3
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
MDL Number:
MFCD00041191
IUPAC Name:
N-carbamothioylbenzamide
InChI:
InChI=1S/C8H8N2OS/c9-8(12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)
InChI Key:
DQMWMUMCNOJLSI-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NC(=S)N
EC Number:
449-480-7
UNII:
12K7CS1DAM
NSC Number:
5784
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.225g/mol
Monoisotopic Mass:
180.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
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|---|---|
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| Electrospray ionisation mass spectrometric studies for the determination of palladium after pre-concentration by disposable pipette extraction. | Rapid communications in mass spectrometry : RCM 20120915 |
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| Preparation and antimicrobial activity of some carboxymethyl chitosan acyl thiourea derivatives. | International journal of biological macromolecules 20120601 |
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