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1741-85-1 | Butane, 1-[(2-methylpropyl)thio]-
CAS No: 1741-85-1 Catalog No: AG001ZGO MDL No:
Product Description
Catalog Number:
AG001ZGO
Chemical Name:
Butane, 1-[(2-methylpropyl)thio]-
CAS Number:
1741-85-1
Molecular Formula:
C8H18S
Molecular Weight:
146.2935
IUPAC Name:
1-(2-methylpropylsulfanyl)butane
InChI:
InChI=1S/C8H18S/c1-4-5-6-9-7-8(2)3/h8H,4-7H2,1-3H3
InChI Key:
PWXRDOSRCIGJDM-UHFFFAOYSA-N
SMILES:
CCCCSCC(C)C
Properties
Complexity:
50.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.113g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.292g/mol
Monoisotopic Mass:
146.113g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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