4-(nitrosomethyl)benzenethiol

C7H7NOS — CID 166126612

IUPAC4-(nitrosomethyl)benzenethiol
SMILESO=NCc1ccc(S)cc1
InChIInChI=1S/C7H7NOS/c9-8-5-6-1-3-7(10)4-2-6/h1-4,10H,5H2
InChIKeyFEGCXWABOKWNST-UHFFFAOYSA-N
MW153.21 g/mol
LogP2.24
Rot. Bonds2

About 4-(nitrosomethyl)benzenethiol

4-(nitrosomethyl)benzenethiol (PubChem CID 166126612) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is 4-(nitrosomethyl)benzenethiol.

Molecular Properties

Compound Name4-(nitrosomethyl)benzenethiol
PubChem CID166126612
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name4-(nitrosomethyl)benzenethiol
SMILESO=NCc1ccc(S)cc1
InChIInChI=1S/C7H7NOS/c9-8-5-6-1-3-7(10)4-2-6/h1-4,10H,5H2
InChIKeyFEGCXWABOKWNST-UHFFFAOYSA-N
XLogP2.24
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

CID 102446999
CID 102446999
4-(nitrosomethyl)phenol
CID 54346225
CID 102447003
CID 102447003
ethane;1-methyl-4-[4-(nitrosomethyl)phenyl]benzene
CID 145467953
4-(nitrosomethyl)benzene-1,2-diol
CID 54043215
(4-sulfanylphenyl)methanesulfinate
CID 174470893
4-ethylbenzenethiol;trihydrofluoride
CID 173110681
4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole
CID 134423680
4-(nitrosomethyl)-1,2-diphenylbenzene
CID 91485748
1-[bis[4-(nitrosomethyl)phenyl]methyl]-1,2,4-triazole
CID 91266908
ethane;4-(2-methylpropyl)benzenethiol
CID 143751683
4-(4-sulfanylbutyl)benzenethiol
CID 129086521

Frequently Asked Questions

What is the IUPAC name of 4-(nitrosomethyl)benzenethiol?
The IUPAC name of 4-(nitrosomethyl)benzenethiol (CID 166126612) is 4-(nitrosomethyl)benzenethiol.
What is the SMILES notation for 4-(nitrosomethyl)benzenethiol?
The canonical SMILES for 4-(nitrosomethyl)benzenethiol is O=NCc1ccc(S)cc1.
What is the InChIKey of 4-(nitrosomethyl)benzenethiol?
The InChIKey is FEGCXWABOKWNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c9-8-5-6-1-3-7(10)4-2-6/h1-4,10H,5H2.
What are the key properties of 4-(nitrosomethyl)benzenethiol?
4-(nitrosomethyl)benzenethiol has a molecular weight of 153.21 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(nitrosomethyl)benzenethiol is sourced from PubChem (CID 166126612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).