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849414-04-6 | 3-(1H-1,2,3-Benzotriazol-1-ylmethyl)-1,3-thiazolidine-2-thione
CAS No: 849414-04-6 Catalog No: AG01EXRU MDL No:
Product Description
Catalog Number:
AG01EXRU
Chemical Name:
3-(1H-1,2,3-Benzotriazol-1-ylmethyl)-1,3-thiazolidine-2-thione
CAS Number:
849414-04-6
Molecular Formula:
C10H10N4S2
Molecular Weight:
250.3432
IUPAC Name:
3-(benzotriazol-1-ylmethyl)-1,3-thiazolidine-2-thione
InChI:
InChI=1S/C10H10N4S2/c15-10-13(5-6-16-10)7-14-9-4-2-1-3-8(9)11-12-14/h1-4H,5-7H2
InChI Key:
QBDSZRFVZRGKBN-UHFFFAOYSA-N
SMILES:
S=C1SCCN1Cn1nnc2c1cccc2
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.338g/mol
Monoisotopic Mass:
250.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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