O-[4-(sulfanylmethyl)phenyl]hydroxylamine

C7H9NOS — CID 166810854

IUPACO-[4-(sulfanylmethyl)phenyl]hydroxylamine
SMILESNOc1ccc(CS)cc1
InChIInChI=1S/C7H9NOS/c8-9-7-3-1-6(5-10)2-4-7/h1-4,10H,5,8H2
InChIKeySAJPDGXGWZCMQO-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.37
Rot. Bonds2

About O-[4-(sulfanylmethyl)phenyl]hydroxylamine

O-[4-(sulfanylmethyl)phenyl]hydroxylamine (PubChem CID 166810854) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is O-[4-(sulfanylmethyl)phenyl]hydroxylamine.

Molecular Properties

Compound NameO-[4-(sulfanylmethyl)phenyl]hydroxylamine
PubChem CID166810854
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC NameO-[4-(sulfanylmethyl)phenyl]hydroxylamine
SMILESNOc1ccc(CS)cc1
InChIInChI=1S/C7H9NOS/c8-9-7-3-1-6(5-10)2-4-7/h1-4,10H,5,8H2
InChIKeySAJPDGXGWZCMQO-UHFFFAOYSA-N
XLogP1.37
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;(4-methoxyphenyl)methanethiol
CID 143963839
(4-aminophenyl)methanethiol
CID 19101446
4-[(4-aminooxyphenyl)methyl]phenol
CID 122683282
O-(4-butylphenyl)hydroxylamine
CID 176620577
4-aminooxyphenol
CID 67279043
[4-(sulfanylmethyl)phenyl]methanol
CID 83526343
[4-(fluoromethyl)phenyl]methanethiol
CID 86184617
(4-aminooxyphenyl)methyl nitrate
CID 144534541
(6-methoxynaphthalen-2-yl)methanethiol
CID 79884829
[4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanethiol
CID 146590139
[4-(2-phenylethyl)phenyl]methanethiol
CID 88715402
O-phenylhydroxylamine;zinc
CID 175464016

Frequently Asked Questions

What is the IUPAC name of O-[4-(sulfanylmethyl)phenyl]hydroxylamine?
The IUPAC name of O-[4-(sulfanylmethyl)phenyl]hydroxylamine (CID 166810854) is O-[4-(sulfanylmethyl)phenyl]hydroxylamine.
What is the SMILES notation for O-[4-(sulfanylmethyl)phenyl]hydroxylamine?
The canonical SMILES for O-[4-(sulfanylmethyl)phenyl]hydroxylamine is NOc1ccc(CS)cc1.
What is the InChIKey of O-[4-(sulfanylmethyl)phenyl]hydroxylamine?
The InChIKey is SAJPDGXGWZCMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c8-9-7-3-1-6(5-10)2-4-7/h1-4,10H,5,8H2.
What are the key properties of O-[4-(sulfanylmethyl)phenyl]hydroxylamine?
O-[4-(sulfanylmethyl)phenyl]hydroxylamine has a molecular weight of 155.22 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[4-(sulfanylmethyl)phenyl]hydroxylamine is sourced from PubChem (CID 166810854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).