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124772-61-8 | Thiocyanic acid, 2-(2-benzothiazolylthio)ethyl ester
CAS No: 124772-61-8 Catalog No: AG000MQI MDL No:
Product Description
Catalog Number:
AG000MQI
Chemical Name:
Thiocyanic acid, 2-(2-benzothiazolylthio)ethyl ester
CAS Number:
124772-61-8
Molecular Formula:
C10H8N2S3
Molecular Weight:
252.3789
IUPAC Name:
2-(1,3-benzothiazol-2-ylsulfanyl)ethyl thiocyanate
InChI:
InChI=1S/C10H8N2S3/c11-7-13-5-6-14-10-12-8-3-1-2-4-9(8)15-10/h1-4H,5-6H2
InChI Key:
YLNOULGXBDFIAZ-UHFFFAOYSA-N
SMILES:
N#CSCCSc1nc2c(s1)cccc2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.985g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.368g/mol
Monoisotopic Mass:
251.985g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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