[2,5-bis(methylsulfanyl)phenyl]hydrazine

C8H12N2S2 — CID 130894221

IUPAC[2,5-bis(methylsulfanyl)phenyl]hydrazine
SMILESCSc1ccc(SC)c(NN)c1
InChIInChI=1S/C8H12N2S2/c1-11-6-3-4-8(12-2)7(5-6)10-9/h3-5,10H,9H2,1-2H3
InChIKeyPEDGRVTVDCMVJZ-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.42
Rot. Bonds3

About [2,5-bis(methylsulfanyl)phenyl]hydrazine

[2,5-bis(methylsulfanyl)phenyl]hydrazine (PubChem CID 130894221) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is [2,5-bis(methylsulfanyl)phenyl]hydrazine.

Molecular Properties

Compound Name[2,5-bis(methylsulfanyl)phenyl]hydrazine
PubChem CID130894221
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC Name[2,5-bis(methylsulfanyl)phenyl]hydrazine
SMILESCSc1ccc(SC)c(NN)c1
InChIInChI=1S/C8H12N2S2/c1-11-6-3-4-8(12-2)7(5-6)10-9/h3-5,10H,9H2,1-2H3
InChIKeyPEDGRVTVDCMVJZ-UHFFFAOYSA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.42
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'}

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Related Compounds

(4-(Methylsulfanyl)phenyl)hydrazine hydrochloride
CID 2760977
(3-(Methylsulfanyl)phenyl)hydrazine hydrochloride
CID 21110099
4-(Methylthio)phenylhydrazine
CID 2760978
(2-Methylsulfonylphenyl)hydrazine
CID 328982
3-(Hexadecylthio)-phenylhydrazine hydrochloride
CID 45049022
2-Amino-4-methylsulfanylbenzenethiol
CID 21534807
2,5-Bis(methylthio)benzene-1,4-diamine
CID 134966964
2-[(2-Fluorophenyl)sulfanyl]-5-(methylsulfanyl)aniline
CID 14615422
Hydrazine, [3-(hexadecylthio)phenyl]-
CID 4111816
{3-[(Trifluoromethyl)sulfanyl]phenyl}hydrazine
CID 14290903
Hydrazine, [3-(methylthio)phenyl]-
CID 14770426
1-(3-Fluoro-4-(methylthio)phenyl)hydrazine
CID 20755443

Frequently Asked Questions

What is the IUPAC name of [2,5-bis(methylsulfanyl)phenyl]hydrazine?
The IUPAC name of [2,5-bis(methylsulfanyl)phenyl]hydrazine (CID 130894221) is [2,5-bis(methylsulfanyl)phenyl]hydrazine.
What is the SMILES notation for [2,5-bis(methylsulfanyl)phenyl]hydrazine?
The canonical SMILES for [2,5-bis(methylsulfanyl)phenyl]hydrazine is CSc1ccc(SC)c(NN)c1.
What is the InChIKey of [2,5-bis(methylsulfanyl)phenyl]hydrazine?
The InChIKey is PEDGRVTVDCMVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c1-11-6-3-4-8(12-2)7(5-6)10-9/h3-5,10H,9H2,1-2H3.
What are the key properties of [2,5-bis(methylsulfanyl)phenyl]hydrazine?
[2,5-bis(methylsulfanyl)phenyl]hydrazine has a molecular weight of 200.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-bis(methylsulfanyl)phenyl]hydrazine is sourced from PubChem (CID 130894221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).