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79111-31-2 | Benzothiazole, 2-[(trimethylstannyl)thio]-
CAS No: 79111-31-2 Catalog No: AG0053IE MDL No:
Product Description
Catalog Number:
AG0053IE
Chemical Name:
Benzothiazole, 2-[(trimethylstannyl)thio]-
CAS Number:
79111-31-2
Molecular Formula:
C10H13NS2Sn
Molecular Weight:
330.0479
IUPAC Name:
1,3-benzothiazol-2-ylsulfanyl(trimethyl)stannane
InChI:
InChI=1S/C7H5NS2.3CH3.Sn/c9-7-8-5-3-1-2-4-6(5)10-7;;;;/h1-4H,(H,8,9);3*1H3;/q;;;;+1/p-1
InChI Key:
TXOJIGYFMPUKLH-UHFFFAOYSA-M
SMILES:
C[Sn](Sc1nc2c(s1)cccc2)(C)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.951g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.051g/mol
Monoisotopic Mass:
330.951g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Triorganotin compounds as antimicrobial agents. | Farmaco (Societa chimica italiana : 1989) 19990430 |
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