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1-Propanethiol

CAS No.:
107-03-9
Catalog Number:
AG003EN8
Molecular Formula:
C3H8S
Molecular Weight:
76.1606
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Product Description
Catalog Number:
AG003EN8
Chemical Name:
1-Propanethiol
CAS Number:
107-03-9
Molecular Formula:
C3H8S
Molecular Weight:
76.1606
MDL Number:
MFCD00004900
IUPAC Name:
propane-1-thiol
InChI:
InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
InChI Key:
SUVIGLJNEAMWEG-UHFFFAOYSA-N
SMILES:
CCCS
EC Number:
203-455-5
UNII:
4AB0N08V2H
FEMA Number:
3521
RTECS Number:
TZ7300000
UN Number:
2402
Properties
Complexity:
7.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
76.035g/mol
Formal Charge:
0
Heavy Atom Count:
4  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
76.157g/mol
Monoisotopic Mass:
76.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
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Properties