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13188-85-7 | Thietane, 3,3-dimethyl-
CAS No: 13188-85-7 Catalog No: AG000ZVU MDL No:
Product Description
Catalog Number:
AG000ZVU
Chemical Name:
Thietane, 3,3-dimethyl-
CAS Number:
13188-85-7
Molecular Formula:
C5H10S
Molecular Weight:
102.1979
IUPAC Name:
3,3-dimethylthietane
InChI:
InChI=1S/C5H10S/c1-5(2)3-6-4-5/h3-4H2,1-2H3
InChI Key:
RPRIYERFOHERFT-UHFFFAOYSA-N
SMILES:
CC1(C)CSC1
Properties
Complexity:
51
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
102.05g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
102.195g/mol
Monoisotopic Mass:
102.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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