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31805-83-1 | 1,3-BIS(METHYLTHIO)-2-PROPANOL
CAS No: 31805-83-1 Catalog No: AG003DI2 MDL No:
Product Description
Catalog Number:
AG003DI2
Chemical Name:
1,3-BIS(METHYLTHIO)-2-PROPANOL
CAS Number:
31805-83-1
IUPAC Name:
1,3-bis(methylsulfanyl)propan-2-ol
InChI:
InChI=1S/C5H12OS2/c1-7-3-5(6)4-8-2/h5-6H,3-4H2,1-2H3
InChI Key:
BTQNSLFPJKRBQK-UHFFFAOYSA-N
EC Number:
250-814-7
NSC Number:
240695
Properties
Complexity:
43.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.033g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.27g/mol
Monoisotopic Mass:
152.033g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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