methyl (1Z)-N-hydroxyhexanimidothioate

C7H15NOS — CID 15164607

IUPACmethyl (1Z)-N-hydroxyhexanimidothioate
SMILESCCCCC/C(=N/O)SC
InChIInChI=1S/C7H15NOS/c1-3-4-5-6-7(8-9)10-2/h9H,3-6H2,1-2H3/b8-7-
InChIKeyUSKUKZDZSPJSKG-FPLPWBNLSA-N
MW161.27 g/mol
LogP2.72
Rot. Bonds4

About methyl (1Z)-N-hydroxyhexanimidothioate

methyl (1Z)-N-hydroxyhexanimidothioate (PubChem CID 15164607) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is methyl (1Z)-N-hydroxyhexanimidothioate.

Molecular Properties

Compound Namemethyl (1Z)-N-hydroxyhexanimidothioate
PubChem CID15164607
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Namemethyl (1Z)-N-hydroxyhexanimidothioate
SMILESCCCCC/C(=N/O)SC
InChIInChI=1S/C7H15NOS/c1-3-4-5-6-7(8-9)10-2/h9H,3-6H2,1-2H3/b8-7-
InChIKeyUSKUKZDZSPJSKG-FPLPWBNLSA-N
XLogP2.72
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl (1Z)-N-hydroxyhexanimidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-6-(methylsulfanyl)hexanal oxime
CID 25010756
6-(Methylsulfanyl)hexanal oxime
CID 74388161
2-Methylthio-cyclohexanone oxime
CID 139063779
Paamewrzfhdutj-sofgywhqsa-
CID 21604082
3-Pentyl-1,4,2-oxathiazole
CID 68129151
N-(1-methylsulfanylpentan-2-ylidene)hydroxylamine
CID 73796144
(NZ)-N-(5-methylsulfanylpentan-2-ylidene)hydroxylamine
CID 145519335
methyl N-hydroxybutanimidothioate
CID 145775150
methyl N-hydroxypropanimidothioate
CID 154232802
(NZ)-N-(1-methylsulfanylpentan-2-ylidene)hydroxylamine
CID 21565267
(NZ)-N-(2-methylsulfanylcyclohexylidene)hydroxylamine
CID 21604083

Frequently Asked Questions

What is the IUPAC name of methyl (1Z)-N-hydroxyhexanimidothioate?
The IUPAC name of methyl (1Z)-N-hydroxyhexanimidothioate (CID 15164607) is methyl (1Z)-N-hydroxyhexanimidothioate.
What is the SMILES notation for methyl (1Z)-N-hydroxyhexanimidothioate?
The canonical SMILES for methyl (1Z)-N-hydroxyhexanimidothioate is CCCCC/C(=N/O)SC.
What is the InChIKey of methyl (1Z)-N-hydroxyhexanimidothioate?
The InChIKey is USKUKZDZSPJSKG-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H15NOS/c1-3-4-5-6-7(8-9)10-2/h9H,3-6H2,1-2H3/b8-7-.
What are the key properties of methyl (1Z)-N-hydroxyhexanimidothioate?
methyl (1Z)-N-hydroxyhexanimidothioate has a molecular weight of 161.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1Z)-N-hydroxyhexanimidothioate is sourced from PubChem (CID 15164607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).