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80646-14-6 | 2-Furanmethanethiol, 5-[(dimethylamino)methyl]-
CAS No: 80646-14-6 Catalog No: AG005KE4 MDL No:MFCD28674888
Product Description
Catalog Number:
AG005KE4
Chemical Name:
2-Furanmethanethiol, 5-[(dimethylamino)methyl]-
CAS Number:
80646-14-6
Molecular Formula:
C8H13NOS
Molecular Weight:
171.2599
MDL Number:
MFCD28674888
IUPAC Name:
[5-[(dimethylamino)methyl]furan-2-yl]methanethiol
InChI:
InChI=1S/C8H13NOS/c1-9(2)5-7-3-4-8(6-11)10-7/h3-4,11H,5-6H2,1-2H3
InChI Key:
KLPXXRDSVDIUIL-UHFFFAOYSA-N
SMILES:
SCc1ccc(o1)CN(C)C
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.072g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.258g/mol
Monoisotopic Mass:
171.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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