hydrazine;S-methylsulfanyl benzenecarbothioate

C8H12N2OS2 — CID 174795675

IUPAChydrazine;S-methylsulfanyl benzenecarbothioate
SMILESCSSC(=O)c1ccccc1.NN
InChIInChI=1S/C8H8OS2.H4N2/c1-10-11-8(9)7-5-3-2-4-6-7;1-2/h2-6H,1H3;1-2H2
InChIKeyPTWMJODBOQXLQV-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.66
Rot. Bonds2

About hydrazine;S-methylsulfanyl benzenecarbothioate

hydrazine;S-methylsulfanyl benzenecarbothioate (PubChem CID 174795675) has the molecular formula C8H12N2OS2 and a molecular weight of 216.33 g/mol. Its IUPAC name is hydrazine;S-methylsulfanyl benzenecarbothioate.

Molecular Properties

Compound Namehydrazine;S-methylsulfanyl benzenecarbothioate
PubChem CID174795675
Molecular FormulaC8H12N2OS2
Molecular Weight216.33 g/mol
Exact Mass216.04
IUPAC Namehydrazine;S-methylsulfanyl benzenecarbothioate
SMILESCSSC(=O)c1ccccc1.NN
InChIInChI=1S/C8H8OS2.H4N2/c1-10-11-8(9)7-5-3-2-4-6-7;1-2/h2-6H,1H3;1-2H2
InChIKeyPTWMJODBOQXLQV-UHFFFAOYSA-N
XLogP1.66
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

S-methylsulfanyl benzenecarbothioate
CID 15469185
S-amino benzenecarbothioate
CID 569822
S-methylsulfanyl 2-methylbenzenecarbothioate
CID 87154728
benzoylsulfanylmethylidene(dimethyl)azanium
CID 13444024
benzamide;hydron
CID 68819060
benzoic acid;methanamine
CID 158244769
S-(2-methylhydrazinyl) benzenecarbothioate
CID 90998429
benzoyl chloride;hydrazine
CID 19933227
S-(tert-butylamino) benzenecarbothioate
CID 151499955
S-(2,3,4,5,6-pentamethylphenyl) benzenecarbothioate
CID 15577914
acetyl chloride;benzamide
CID 160666659
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505

Frequently Asked Questions

What is the IUPAC name of hydrazine;S-methylsulfanyl benzenecarbothioate?
The IUPAC name of hydrazine;S-methylsulfanyl benzenecarbothioate (CID 174795675) is hydrazine;S-methylsulfanyl benzenecarbothioate.
What is the SMILES notation for hydrazine;S-methylsulfanyl benzenecarbothioate?
The canonical SMILES for hydrazine;S-methylsulfanyl benzenecarbothioate is CSSC(=O)c1ccccc1.NN.
What is the InChIKey of hydrazine;S-methylsulfanyl benzenecarbothioate?
The InChIKey is PTWMJODBOQXLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OS2.H4N2/c1-10-11-8(9)7-5-3-2-4-6-7;1-2/h2-6H,1H3;1-2H2.
What are the key properties of hydrazine;S-methylsulfanyl benzenecarbothioate?
hydrazine;S-methylsulfanyl benzenecarbothioate has a molecular weight of 216.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;S-methylsulfanyl benzenecarbothioate is sourced from PubChem (CID 174795675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).