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176903-87-0 | 1-Propyne, 3-[(2-methylpropyl)thio]-
CAS No: 176903-87-0 Catalog No: AG0024ZK MDL No:
Product Description
Catalog Number:
AG0024ZK
Chemical Name:
1-Propyne, 3-[(2-methylpropyl)thio]-
CAS Number:
176903-87-0
Molecular Formula:
C7H12S
Molecular Weight:
128.2352
IUPAC Name:
2-methyl-1-prop-2-ynylsulfanylpropane
InChI:
InChI=1S/C7H12S/c1-4-5-8-6-7(2)3/h1,7H,5-6H2,2-3H3
InChI Key:
RKQUMJHDWGFQHI-UHFFFAOYSA-N
SMILES:
C#CCSCC(C)C
Properties
Complexity:
85.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.066g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.233g/mol
Monoisotopic Mass:
128.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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