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88585-02-8 | Propanimidothioic acid, 2-hydroxy-2-methyl-, 2-methylpropyl ester
CAS No: 88585-02-8 Catalog No: AG004BNR MDL No:
Product Description
Catalog Number:
AG004BNR
Chemical Name:
Propanimidothioic acid, 2-hydroxy-2-methyl-, 2-methylpropyl ester
CAS Number:
88585-02-8
Molecular Formula:
C8H17NOS
Molecular Weight:
175.2917
IUPAC Name:
2-methylpropyl 2-hydroxy-2-methylpropanimidothioate
InChI:
InChI=1S/C8H17NOS/c1-6(2)5-11-7(9)8(3,4)10/h6,9-10H,5H2,1-4H3
InChI Key:
GIXCRXCJBYPILZ-UHFFFAOYSA-N
SMILES:
CC(CSC(=N)C(O)(C)C)C
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.103g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.29g/mol
Monoisotopic Mass:
175.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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