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92137-10-5 | 2-[(ISOCYANATOMETHYL)THIO]-BENZO[D]THIAZOLE
CAS No: 92137-10-5 Catalog No: AG0065JA MDL No:
Product Description
Catalog Number:
AG0065JA
Chemical Name:
2-[(ISOCYANATOMETHYL)THIO]-BENZO[D]THIAZOLE
CAS Number:
92137-10-5
Molecular Formula:
C9H6N2OS2
Molecular Weight:
222.2867
IUPAC Name:
2-(isocyanatomethylsulfanyl)-1,3-benzothiazole
InChI:
InChI=1S/C9H6N2OS2/c12-5-10-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2
InChI Key:
SGVINURPXZYECK-UHFFFAOYSA-N
SMILES:
O=C=NCSc1nc2c(s1)cccc2
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.28g/mol
Monoisotopic Mass:
221.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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