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114067-65-1 | 2H-Thiopyranium, tetrahydro-1-methyl-, chloride (9CI)
CAS No: 114067-65-1 Catalog No: AG000AFU MDL No:
Product Description
Catalog Number:
AG000AFU
Chemical Name:
2H-Thiopyranium, tetrahydro-1-methyl-, chloride (9CI)
CAS Number:
114067-65-1
Molecular Formula:
C6H13ClS
Molecular Weight:
152.6854
IUPAC Name:
1-methylthian-1-ium;chloride
InChI:
InChI=1S/C6H13S.ClH/c1-7-5-3-2-4-6-7;/h2-6H2,1H3;1H/q+1;/p-1
InChI Key:
YHRNYUHMGLWDFI-UHFFFAOYSA-M
SMILES:
C[S+]1CCCCC1.[Cl-]
Properties
Complexity:
46.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.043g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.68g/mol
Monoisotopic Mass:
152.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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