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30760-48-6 | Thiazolium, 4,5-dihydro-3-methyl-2-(methylthio)-, iodide (1:1)
CAS No: 30760-48-6 Catalog No: AG00317A MDL No:
Product Description
Catalog Number:
AG00317A
Chemical Name:
Thiazolium, 4,5-dihydro-3-methyl-2-(methylthio)-, iodide (1:1)
CAS Number:
30760-48-6
Molecular Formula:
C5H10INS2
Molecular Weight:
275.1741
IUPAC Name:
3-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazol-3-ium;iodide
InChI:
InChI=1S/C5H10NS2.HI/c1-6-3-4-8-5(6)7-2;/h3-4H2,1-2H3;1H/q+1;/p-1
InChI Key:
HVTTVAGWEVMMMT-UHFFFAOYSA-M
SMILES:
CSC1=[N+](C)CCS1.[I-]
NSC Number:
122620
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.93g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.166g/mol
Monoisotopic Mass:
274.93g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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