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115227-74-2 | 2H-Thiecin, 5,6,7,10-tetrahydro-
CAS No: 115227-74-2 Catalog No: AG000GGR MDL No:
Product Description
Catalog Number:
AG000GGR
Chemical Name:
2H-Thiecin, 5,6,7,10-tetrahydro-
CAS Number:
115227-74-2
Molecular Formula:
C9H14S
Molecular Weight:
154.2725
IUPAC Name:
1-thiacyclodeca-3,8-diyne
InChI:
InChI=1S/C9H10S/c1-2-4-6-8-10-9-7-5-3-1/h1-3,8-9H2
InChI Key:
BIXURTSOTIYEDE-UHFFFAOYSA-N
SMILES:
C1CC=CCSCC=CC1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.05g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.239g/mol
Monoisotopic Mass:
150.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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