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126742-25-4 | 2-Propanethione, 1-chloro- (9CI)
CAS No: 126742-25-4 Catalog No: AG000T6L MDL No:MFCD19232174
Product Description
Catalog Number:
AG000T6L
Chemical Name:
2-Propanethione, 1-chloro- (9CI)
CAS Number:
126742-25-4
Molecular Formula:
C3H5ClS
Molecular Weight:
108.5898
MDL Number:
MFCD19232174
IUPAC Name:
1-chloropropane-2-thione
InChI:
InChI=1S/C3H5ClS/c1-3(5)2-4/h2H2,1H3
InChI Key:
MLSIQHBWLUYJJX-UHFFFAOYSA-N
SMILES:
CC(=S)CCl
Properties
Complexity:
42.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
107.98g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.583g/mol
Monoisotopic Mass:
107.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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