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1334146-38-1 | 1,5-bis(propan-2-yl)-1H-imidazole-2-thiol
CAS No: 1334146-38-1 Catalog No: AG01AK5H MDL No:MFCD19982435
Product Description
Catalog Number:
AG01AK5H
Chemical Name:
1,5-bis(propan-2-yl)-1H-imidazole-2-thiol
CAS Number:
1334146-38-1
Molecular Formula:
C9H16N2S
Molecular Weight:
184.3017
MDL Number:
MFCD19982435
IUPAC Name:
3,4-di(propan-2-yl)-1H-imidazole-2-thione
InChI:
InChI=1S/C9H16N2S/c1-6(2)8-5-10-9(12)11(8)7(3)4/h5-7H,1-4H3,(H,10,12)
InChI Key:
QMKAUEIJPSQTLH-UHFFFAOYSA-N
SMILES:
CC(n1c(S)ncc1C(C)C)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.103g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.301g/mol
Monoisotopic Mass:
184.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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