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2180-06-5 | 4-cyclohexyl-1,3-thiazole-2-thiol
CAS No: 2180-06-5 Catalog No: AG01BRGZ MDL No:MFCD20293754
Product Description
Catalog Number:
AG01BRGZ
Chemical Name:
4-cyclohexyl-1,3-thiazole-2-thiol
CAS Number:
2180-06-5
Molecular Formula:
C9H13NS2
Molecular Weight:
199.3362
MDL Number:
MFCD20293754
IUPAC Name:
4-cyclohexyl-3H-1,3-thiazole-2-thione
InChI:
InChI=1S/C9H13NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,10,11)
InChI Key:
HBTSHIJCNGWNEF-UHFFFAOYSA-N
SMILES:
Sc1scc(n1)C1CCCCC1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.33g/mol
Monoisotopic Mass:
199.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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