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1030829-17-4 | [2-(propan-2-ylsulfanyl)pyridin-3-yl]methanol
CAS No: 1030829-17-4 Catalog No: AG00IXKK MDL No:MFCD28337491
Product Description
Catalog Number:
AG00IXKK
Chemical Name:
[2-(propan-2-ylsulfanyl)pyridin-3-yl]methanol
CAS Number:
1030829-17-4
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
MDL Number:
MFCD28337491
IUPAC Name:
(2-propan-2-ylsulfanylpyridin-3-yl)methanol
InChI:
InChI=1S/C9H13NOS/c1-7(2)12-9-8(6-11)4-3-5-10-9/h3-5,7,11H,6H2,1-2H3
InChI Key:
FZZSZGFANCQTOO-UHFFFAOYSA-N
SMILES:
OCc1cccnc1SC(C)C
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.269g/mol
Monoisotopic Mass:
183.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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