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21100-03-8 | 1-Butanethiol, 4-amino-
CAS No: 21100-03-8 Catalog No: AG002L46 MDL No:MFCD27986473
Product Description
Catalog Number:
AG002L46
Chemical Name:
1-Butanethiol, 4-amino-
CAS Number:
21100-03-8
Molecular Formula:
C4H11NS
Molecular Weight:
105.2018
MDL Number:
MFCD27986473
IUPAC Name:
4-aminobutane-1-thiol
InChI:
InChI=1S/C4H11NS/c5-3-1-2-4-6/h6H,1-5H2
InChI Key:
RIRRYXTXJAZPMP-UHFFFAOYSA-N
SMILES:
NCCCCS
Properties
Complexity:
23.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
105.061g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
105.199g/mol
Monoisotopic Mass:
105.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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