[2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol

C8H11N3S — CID 173340240

IUPAC[2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol
SMILESCC(=NNCS)c1ccccn1
InChIInChI=1S/C8H11N3S/c1-7(11-10-6-12)8-4-2-3-5-9-8/h2-5,10,12H,6H2,1H3
InChIKeyAQCUKEMZDNBBQL-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.28
Rot. Bonds3

About [2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol

[2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol (PubChem CID 173340240) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is [2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol.

Molecular Properties

Compound Name[2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol
PubChem CID173340240
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name[2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol
SMILESCC(=NNCS)c1ccccn1
InChIInChI=1S/C8H11N3S/c1-7(11-10-6-12)8-4-2-3-5-9-8/h2-5,10,12H,6H2,1H3
InChIKeyAQCUKEMZDNBBQL-UHFFFAOYSA-N
XLogP1.28
TPSA37.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid
CID 165352086
[2-(1-pyrazin-2-ylethylidene)hydrazinyl]methanethiol
CID 174674695
(1-pyridin-2-ylethylideneamino)carbamodithioic acid
CID 71331582
ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetate
CID 177496938
N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide
CID 4258546
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
[(E)-1-pyridin-2-ylethylideneamino]methanol
CID 121226769
1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 3005983
aluminum (1-pyridin-2-ylethylideneamino)thiourea
CID 50910891
(1-pyridin-2-ylethylideneamino)thiourea;rhodium
CID 175077366
trimethyl-[2-oxo-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]ethyl]azanium
CID 15703229
2-amino-N'-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]ethanimidamide
CID 123895161

Frequently Asked Questions

What is the IUPAC name of [2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol?
The IUPAC name of [2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol (CID 173340240) is [2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol.
What is the SMILES notation for [2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol?
The canonical SMILES for [2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol is CC(=NNCS)c1ccccn1.
What is the InChIKey of [2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol?
The InChIKey is AQCUKEMZDNBBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-7(11-10-6-12)8-4-2-3-5-9-8/h2-5,10,12H,6H2,1H3.
What are the key properties of [2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol?
[2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol has a molecular weight of 181.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol is sourced from PubChem (CID 173340240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).