[4-hydroxy-2-methylsulfanyl-6-[(R)-methylsulfinyl]phenyl]iminourea

C9H11N3O3S2 — CID 139583463

IUPAC[4-hydroxy-2-methylsulfanyl-6-[(R)-methylsulfinyl]phenyl]iminourea
SMILESCSc1cc(O)cc([S@@](C)=O)c1/N=N/C(N)=O
InChIInChI=1S/C9H11N3O3S2/c1-16-6-3-5(13)4-7(17(2)15)8(6)11-12-9(10)14/h3-4,13H,1-2H3,(H2,10,14)/b12-11+/t17-/m1/s1
InChIKeyZPCRETDPXVYSMI-FMQWLBJXSA-N
MW273.34 g/mol
LogP2.01
Rot. Bonds3

About [4-hydroxy-2-methylsulfanyl-6-[(R)-methylsulfinyl]phenyl]iminourea

[4-hydroxy-2-methylsulfanyl-6-[(R)-methylsulfinyl]phenyl]iminourea (PubChem CID 139583463) has the molecular formula C9H11N3O3S2 and a molecular weight of 273.34 g/mol. Its IUPAC name is [4-hydroxy-2-methylsulfanyl-6-[(R)-methylsulfinyl]phenyl]iminourea.

Molecular Properties

Compound Name[4-hydroxy-2-methylsulfanyl-6-[(R)-methylsulfinyl]phenyl]iminourea
PubChem CID139583463
Molecular FormulaC9H11N3O3S2
Molecular Weight273.34 g/mol
Exact Mass273.02
IUPAC Name[4-hydroxy-2-methylsulfanyl-6-[(R)-methylsulfinyl]phenyl]iminourea
SMILESCSc1cc(O)cc([S@@](C)=O)c1/N=N/C(N)=O
InChIInChI=1S/C9H11N3O3S2/c1-16-6-3-5(13)4-7(17(2)15)8(6)11-12-9(10)14/h3-4,13H,1-2H3,(H2,10,14)/b12-11+/t17-/m1/s1
InChIKeyZPCRETDPXVYSMI-FMQWLBJXSA-N
XLogP2.01
TPSA105.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-2-methylsulfanyl-6-[(R)-methylsulfinyl]phenyl]iminourea?
The IUPAC name of [4-hydroxy-2-methylsulfanyl-6-[(R)-methylsulfinyl]phenyl]iminourea (CID 139583463) is [4-hydroxy-2-methylsulfanyl-6-[(R)-methylsulfinyl]phenyl]iminourea.
What is the SMILES notation for [4-hydroxy-2-methylsulfanyl-6-[(R)-methylsulfinyl]phenyl]iminourea?
The canonical SMILES for [4-hydroxy-2-methylsulfanyl-6-[(R)-methylsulfinyl]phenyl]iminourea is CSc1cc(O)cc([S@@](C)=O)c1/N=N/C(N)=O.
What is the InChIKey of [4-hydroxy-2-methylsulfanyl-6-[(R)-methylsulfinyl]phenyl]iminourea?
The InChIKey is ZPCRETDPXVYSMI-FMQWLBJXSA-N. The full InChI is InChI=1S/C9H11N3O3S2/c1-16-6-3-5(13)4-7(17(2)15)8(6)11-12-9(10)14/h3-4,13H,1-2H3,(H2,10,14)/b12-11+/t17-/m1/s1.
What are the key properties of [4-hydroxy-2-methylsulfanyl-6-[(R)-methylsulfinyl]phenyl]iminourea?
[4-hydroxy-2-methylsulfanyl-6-[(R)-methylsulfinyl]phenyl]iminourea has a molecular weight of 273.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-2-methylsulfanyl-6-[(R)-methylsulfinyl]phenyl]iminourea is sourced from PubChem (CID 139583463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).