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114232-43-8 | Benzene, [[1-(1-methoxy-1-methylethyl)-2-butyn-1-yl]thio]-
CAS No: 114232-43-8 Catalog No: AG000AW7 MDL No:
Product Description
Catalog Number:
AG000AW7
Chemical Name:
Benzene, [[1-(1-methoxy-1-methylethyl)-2-butyn-1-yl]thio]-
CAS Number:
114232-43-8
Molecular Formula:
C14H18OS
Molecular Weight:
234.3571
IUPAC Name:
(2-methoxy-2-methylhex-4-yn-3-yl)sulfanylbenzene
InChI:
InChI=1S/C14H18OS/c1-5-9-13(14(2,3)15-4)16-12-10-7-6-8-11-12/h6-8,10-11,13H,1-4H3
InChI Key:
PKTMUWZRZSLKFN-UHFFFAOYSA-N
SMILES:
CC#CC(C(OC)(C)C)Sc1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.108g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.357g/mol
Monoisotopic Mass:
234.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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