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13269-12-0 | Thiourea, N-(1,1-dimethyl-3-oxobutyl)-N'-methyl-
CAS No: 13269-12-0 Catalog No: AG00110L MDL No:
Product Description
Catalog Number:
AG00110L
Chemical Name:
Thiourea, N-(1,1-dimethyl-3-oxobutyl)-N'-methyl-
CAS Number:
13269-12-0
Molecular Formula:
C8H16N2OS
Molecular Weight:
188.2904
IUPAC Name:
1-methyl-3-(2-methyl-4-oxopentan-2-yl)thiourea
InChI:
InChI=1S/C8H16N2OS/c1-6(11)5-8(2,3)10-7(12)9-4/h5H2,1-4H3,(H2,9,10,12)
InChI Key:
SPZOFKMQYDJOFU-UHFFFAOYSA-N
SMILES:
CNC(=S)NC(CC(=O)C)(C)C
NSC Number:
508582
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.098g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.289g/mol
Monoisotopic Mass:
188.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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