N-ethylidenehydroxylamine;4-methylbenzenethiol

C9H13NOS — CID 174830225

IUPACN-ethylidenehydroxylamine;4-methylbenzenethiol
SMILESCC=NO.Cc1ccc(S)cc1
InChIInChI=1S/C7H8S.C2H5NO/c1-6-2-4-7(8)5-3-6;1-2-3-4/h2-5,8H,1H3;2,4H,1H3
InChIKeyFUIHICSVZNCJGV-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.75
Rot. Bonds

About N-ethylidenehydroxylamine;4-methylbenzenethiol

N-ethylidenehydroxylamine;4-methylbenzenethiol (PubChem CID 174830225) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is N-ethylidenehydroxylamine;4-methylbenzenethiol.

Molecular Properties

Compound NameN-ethylidenehydroxylamine;4-methylbenzenethiol
PubChem CID174830225
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC NameN-ethylidenehydroxylamine;4-methylbenzenethiol
SMILESCC=NO.Cc1ccc(S)cc1
InChIInChI=1S/C7H8S.C2H5NO/c1-6-2-4-7(8)5-3-6;1-2-3-4/h2-5,8H,1H3;2,4H,1H3
InChIKeyFUIHICSVZNCJGV-UHFFFAOYSA-N
XLogP2.75
TPSA32.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

acetic acid;4-methylbenzenethiol
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benzenethiol;ethane;4-methylbenzenethiol
CID 144560916
4-methylbenzenethiol;phenol
CID 174799239
N-ethylidenehydroxylamine
CID 157067638
4-(ethylideneamino)benzenethiol
CID 123481621
N-ethylidenehydroxylamine;nickel
CID 157374341
buta-1,3-diene;ethane;prop-1-ene;1,4-xylene
CID 142250426
N-ethylidenehydroxylamine;4-(4-methylphenyl)sulfonyloxybenzenesulfonic acid
CID 158855514
ethane;methanol;1,4-xylene
CID 171074418
2,3-dimethylbenzenethiol;4-methylbenzenethiol
CID 67042315
4-(4-methyl-N-[4-[(E)-2-[4-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]anilino)benzenethiol
CID 143060501

Frequently Asked Questions

What is the IUPAC name of N-ethylidenehydroxylamine;4-methylbenzenethiol?
The IUPAC name of N-ethylidenehydroxylamine;4-methylbenzenethiol (CID 174830225) is N-ethylidenehydroxylamine;4-methylbenzenethiol.
What is the SMILES notation for N-ethylidenehydroxylamine;4-methylbenzenethiol?
The canonical SMILES for N-ethylidenehydroxylamine;4-methylbenzenethiol is CC=NO.Cc1ccc(S)cc1.
What is the InChIKey of N-ethylidenehydroxylamine;4-methylbenzenethiol?
The InChIKey is FUIHICSVZNCJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8S.C2H5NO/c1-6-2-4-7(8)5-3-6;1-2-3-4/h2-5,8H,1H3;2,4H,1H3.
What are the key properties of N-ethylidenehydroxylamine;4-methylbenzenethiol?
N-ethylidenehydroxylamine;4-methylbenzenethiol has a molecular weight of 183.28 g/mol, XLogP of 2.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidenehydroxylamine;4-methylbenzenethiol is sourced from PubChem (CID 174830225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).