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Home > Nitro Compounds > 79645-02-6
79645-02-6 | Methyl-1 nitroso-1 cyclohexyl-3 thio-2 uree [French]
CAS No: 79645-02-6 Catalog No: AG00514U MDL No:
Product Description
Catalog Number:
AG00514U
Chemical Name:
Methyl-1 nitroso-1 cyclohexyl-3 thio-2 uree [French]
CAS Number:
79645-02-6
Molecular Formula:
C8H15N3OS
Molecular Weight:
201.2892
IUPAC Name:
3-cyclohexyl-1-methyl-1-nitrosothiourea
InChI:
InChI=1S/C8H15N3OS/c1-11(10-12)8(13)9-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,9,13)
InChI Key:
MBDHMGBEIMEHPR-UHFFFAOYSA-N
SMILES:
O=NN(C(=S)NC1CCCCC1)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.288g/mol
Monoisotopic Mass:
201.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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