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23451-66-3 | 2-Propanol, 1-chloro-3-(methylthio)-
CAS No: 23451-66-3 Catalog No: AG002NAQ MDL No:MFCD19232430
Product Description
Catalog Number:
AG002NAQ
Chemical Name:
2-Propanol, 1-chloro-3-(methylthio)-
CAS Number:
23451-66-3
Molecular Formula:
C4H9ClOS
Molecular Weight:
140.6317
MDL Number:
MFCD19232430
IUPAC Name:
1-chloro-3-methylsulfanylpropan-2-ol
InChI:
InChI=1S/C4H9ClOS/c1-7-3-4(6)2-5/h4,6H,2-3H2,1H3
InChI Key:
IIFURGVYJWZDRN-UHFFFAOYSA-N
SMILES:
CSCC(CCl)O
EC Number:
245-667-0
Properties
Complexity:
42.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.006g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.625g/mol
Monoisotopic Mass:
140.006g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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