2-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]ethanol

C8H13N3OS — CID 62252509

IUPAC2-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]ethanol
SMILESNNc1ccc(CSCCO)cn1
InChIInChI=1S/C8H13N3OS/c9-11-8-2-1-7(5-10-8)6-13-4-3-12/h1-2,5,12H,3-4,6,9H2,(H,10,11)
InChIKeyXNZLVRCAVLSSMQ-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.59
Rot. Bonds5

About 2-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]ethanol

2-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]ethanol (PubChem CID 62252509) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]ethanol
PubChem CID62252509
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]ethanol
SMILESNNc1ccc(CSCCO)cn1
InChIInChI=1S/C8H13N3OS/c9-11-8-2-1-7(5-10-8)6-13-4-3-12/h1-2,5,12H,3-4,6,9H2,(H,10,11)
InChIKeyXNZLVRCAVLSSMQ-UHFFFAOYSA-N
XLogP0.59
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]ethanol?
The IUPAC name of 2-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]ethanol (CID 62252509) is 2-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]ethanol.
What is the SMILES notation for 2-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]ethanol?
The canonical SMILES for 2-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]ethanol is NNc1ccc(CSCCO)cn1.
What is the InChIKey of 2-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]ethanol?
The InChIKey is XNZLVRCAVLSSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c9-11-8-2-1-7(5-10-8)6-13-4-3-12/h1-2,5,12H,3-4,6,9H2,(H,10,11).
What are the key properties of 2-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]ethanol?
2-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]ethanol has a molecular weight of 199.28 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]ethanol is sourced from PubChem (CID 62252509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).