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23451-67-4 | 2-Propanol, 1-chloro-3-(ethylthio)-
CAS No: 23451-67-4 Catalog No: AG002NAP MDL No:
Product Description
Catalog Number:
AG002NAP
Chemical Name:
2-Propanol, 1-chloro-3-(ethylthio)-
CAS Number:
23451-67-4
Molecular Formula:
C5H11ClOS
Molecular Weight:
154.6582
IUPAC Name:
1-chloro-3-ethylsulfanylpropan-2-ol
InChI:
InChI=1S/C5H11ClOS/c1-2-8-4-5(7)3-6/h5,7H,2-4H2,1H3
InChI Key:
IQHIFJVDTZSMEK-UHFFFAOYSA-N
SMILES:
CCSCC(CCl)O
NSC Number:
86951
Properties
Complexity:
51.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.022g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.652g/mol
Monoisotopic Mass:
154.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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