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136843-31-7 | 2H-Thiecin, 3,10-dihydro-
CAS No: 136843-31-7 Catalog No: AG0012G3 MDL No:
Product Description
Catalog Number:
AG0012G3
Chemical Name:
2H-Thiecin, 3,10-dihydro-
CAS Number:
136843-31-7
Molecular Formula:
C9H12S
Molecular Weight:
152.2566
IUPAC Name:
1-thiacyclodec-6-en-4,8-diyne
InChI:
InChI=1S/C9H8S/c1-2-4-6-8-10-9-7-5-3-1/h1-2H,7-9H2
InChI Key:
LDLVPMSAPMXHCR-UHFFFAOYSA-N
SMILES:
S1CCC=CC=CC=CC1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.035g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.223g/mol
Monoisotopic Mass:
148.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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