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409315-33-9 | Carbamothioic acid, 2-benzothiazolyl-, O-methyl ester (9CI)
CAS No: 409315-33-9 Catalog No: AG00CQN4 MDL No:
Product Description
Catalog Number:
AG00CQN4
Chemical Name:
Carbamothioic acid, 2-benzothiazolyl-, O-methyl ester (9CI)
CAS Number:
409315-33-9
IUPAC Name:
O-methyl N-(1,3-benzothiazol-2-yl)carbamothioate
InChI:
InChI=1S/C9H8N2OS2/c1-12-9(13)11-8-10-6-4-2-3-5-7(6)14-8/h2-5H,1H3,(H,10,11,13)
InChI Key:
FCLIWOCHZAADOX-UHFFFAOYSA-N
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.008g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.296g/mol
Monoisotopic Mass:
224.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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