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1-Butanethiol

CAS No.:
109-79-5
Catalog Number:
AG003E5W
Molecular Formula:
C4H10S
Molecular Weight:
90.1872
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Product Description
Catalog Number:
AG003E5W
Chemical Name:
1-Butanethiol
CAS Number:
109-79-5
Molecular Formula:
C4H10S
Molecular Weight:
90.1872
MDL Number:
MFCD00004905
IUPAC Name:
butane-1-thiol
InChI:
InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3
InChI Key:
WQAQPCDUOCURKW-UHFFFAOYSA-N
SMILES:
CCCCS
EC Number:
203-705-3
UNII:
77OY909F30
FEMA Number:
3478
RTECS Number:
EK6300000
UN Number:
2347
Properties
Complexity:
13.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
90.05g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
90.184g/mol
Monoisotopic Mass:
90.05g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
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