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Urea, N'-cyclohexyl-N-(2-((2-hydroxyethyl)thio)ethyl)-N-nitroso-

HCID 100588
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Basic information

CAS
73944-55-5
Standard SMILES
O=NN(CCSCCO)C(=O)NC1CCCCC1
InChIKey
SMTGXYVFVDTFMB-UHFFFAOYSA-N
Molecular formula
C11H21N3O3S
Average molar mass
275.37 g/mol
Monoisotopic mass
275.13036271

Names & identifiers

Preferred name
Urea, N'-cyclohexyl-N-(2-((2-hydroxyethyl)thio)ethyl)-N-nitroso-
IUPAC
3-cyclohexyl-1-[2-(2-hydroxyethylsulfanyl)ethyl]-1-nitrosourea

Names & synonyms

73944-55-5M8R37Q3I8EUrea, N'-cyclohexyl-N-(2-((2-hydroxyethyl)thio)ethyl)-N-nitroso-NSC-323743N'-Cyclohexyl-N-(2-((2-hydroxyethyl)thio)ethyl)-N-nitrosoureaNSC323743NSC 323743UNII-M8R37Q3I8ECHEMBL422211DTXSID30224651DS-012531N'-Cyclohexyl-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-N-nitrosourea
Show more names
Urea, n-cyclohexyl-n-(2-((2-hydroxyethyl)thio)ethyl)-n-nitroso-

Database identifiers

CAS
73944-55-5
PubChem CID
100588
DTXSID
DTXSID30224651
ChEMBL
CHEMBL422211
UNII
M8R37Q3I8E

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
107 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
18
Formal charge
0
Complexity
260

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