hydrazine;O-methyl benzenecarbothioate

C8H12N2OS — CID 157129425

IUPAChydrazine;O-methyl benzenecarbothioate
SMILESCOC(=S)c1ccccc1.NN
InChIInChI=1S/C8H8OS.H4N2/c1-9-8(10)7-5-3-2-4-6-7;1-2/h2-6H,1H3;1-2H2
InChIKeyAIWROWFUOUXMFI-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.83
Rot. Bonds1

About hydrazine;O-methyl benzenecarbothioate

hydrazine;O-methyl benzenecarbothioate (PubChem CID 157129425) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is hydrazine;O-methyl benzenecarbothioate.

Molecular Properties

Compound Namehydrazine;O-methyl benzenecarbothioate
PubChem CID157129425
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Namehydrazine;O-methyl benzenecarbothioate
SMILESCOC(=S)c1ccccc1.NN
InChIInChI=1S/C8H8OS.H4N2/c1-9-8(10)7-5-3-2-4-6-7;1-2/h2-6H,1H3;1-2H2
InChIKeyAIWROWFUOUXMFI-UHFFFAOYSA-N
XLogP0.83
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-tert-butyl benzenecarbothioate
CID 56986939
[methoxy(phenyl)methylidene]manganese
CID 134898444
methyl 3-methoxycarbothioylbenzoate
CID 141161922
O-methyl 4-(dimethylamino)benzenecarbothioate
CID 46872087
O-sulfanyl benzenecarbothioate
CID 141463244
O-methyl 4-[(2R)-1-aminopropan-2-yl]benzenecarbothioate
CID 167283891
O-[bis(benzenecarbonothioyloxy)gallanyl] benzenecarbothioate
CID 139645679
methyl 2-(benzenecarbonothioylsulfanyl)propanoate
CID 86274493
benzenecarbothioic S-acid;methyl 2-(benzenecarbonothioyloxy)-2-methylpropanoate
CID 87518961
O-[2-(dimethylamino)ethyl] benzenecarbothioate
CID 28187
1,3-diphenylpropane-1,3-dithione
CID 23346868
methyl benzoate;hydrate
CID 141218240

Frequently Asked Questions

What is the IUPAC name of hydrazine;O-methyl benzenecarbothioate?
The IUPAC name of hydrazine;O-methyl benzenecarbothioate (CID 157129425) is hydrazine;O-methyl benzenecarbothioate.
What is the SMILES notation for hydrazine;O-methyl benzenecarbothioate?
The canonical SMILES for hydrazine;O-methyl benzenecarbothioate is COC(=S)c1ccccc1.NN.
What is the InChIKey of hydrazine;O-methyl benzenecarbothioate?
The InChIKey is AIWROWFUOUXMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OS.H4N2/c1-9-8(10)7-5-3-2-4-6-7;1-2/h2-6H,1H3;1-2H2.
What are the key properties of hydrazine;O-methyl benzenecarbothioate?
hydrazine;O-methyl benzenecarbothioate has a molecular weight of 184.26 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;O-methyl benzenecarbothioate is sourced from PubChem (CID 157129425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).