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13889-95-7 | Carbonochloridothioic acid, S-(1,1-dimethylethyl) ester
CAS No: 13889-95-7 Catalog No: AG0019RF MDL No:
Product Description
Catalog Number:
AG0019RF
Chemical Name:
Carbonochloridothioic acid, S-(1,1-dimethylethyl) ester
CAS Number:
13889-95-7
Molecular Formula:
C5H9ClOS
Molecular Weight:
152.6424
IUPAC Name:
S-tert-butyl chloromethanethioate
InChI:
InChI=1S/C5H9ClOS/c1-5(2,3)8-4(6)7/h1-3H3
InChI Key:
IFVLGABUISIOQQ-UHFFFAOYSA-N
SMILES:
ClC(=O)SC(C)(C)C
Properties
Complexity:
95.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.006g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.636g/mol
Monoisotopic Mass:
152.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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