Home Other Building Blocks 3-(tert-butylsulfanyl)propan-1-ol

3-(tert-butylsulfanyl)propan-1-ol

CAS No.:
5755-56-6
Catalog Number:
AG01A4KB
Molecular Formula:
C7H16OS
Molecular Weight:
148.2663
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Product Description
Catalog Number:
AG01A4KB
Chemical Name:
3-(tert-butylsulfanyl)propan-1-ol
CAS Number:
5755-56-6
Molecular Formula:
C7H16OS
Molecular Weight:
148.2663
MDL Number:
MFCD12178179
IUPAC Name:
3-tert-butylsulfanylpropan-1-ol
InChI:
InChI=1S/C7H16OS/c1-7(2,3)9-6-4-5-8/h8H,4-6H2,1-3H3
InChI Key:
GDDMGWCYODCSIR-UHFFFAOYSA-N
SMILES:
OCCCSC(C)(C)C
Properties
Complexity:
65.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.092g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
148.264g/mol
Monoisotopic Mass:
148.092g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties