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114564-14-6 | 2,4-Cyclopentadiene-1-thiol, 1,2,3,4,5-pentamethyl-
CAS No: 114564-14-6 Catalog No: AG000EP8 MDL No:
Product Description
Catalog Number:
AG000EP8
Chemical Name:
2,4-Cyclopentadiene-1-thiol, 1,2,3,4,5-pentamethyl-
CAS Number:
114564-14-6
Molecular Formula:
C10H16S
Molecular Weight:
168.2990
IUPAC Name:
1,2,3,4,5-pentamethylcyclopenta-2,4-diene-1-thiol
InChI:
InChI=1S/C10H16S/c1-6-7(2)9(4)10(5,11)8(6)3/h11H,1-5H3
InChI Key:
SXCQQBWYFJEIRF-UHFFFAOYSA-N
SMILES:
CC1=C(C)C(C(=C1C)C)(C)S
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.097g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.298g/mol
Monoisotopic Mass:
168.097g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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