(1E)-1-[1-[(Z)-ethylideneamino]-2-pyridinylidene]ethanethiol

C9H12N2S — CID 142910653

IUPAC(1E)-1-[1-[(Z)-ethylideneamino]-2-pyridinylidene]ethanethiol
SMILESC/C=N\N1C=CC=C/C1=C(/C)S
InChIInChI=1S/C9H12N2S/c1-3-10-11-7-5-4-6-9(11)8(2)12/h3-7,12H,1-2H3/b9-8+,10-3-
InChIKeyDIKPUXHWDBXNHJ-QZKXOSAKSA-N
MW180.28 g/mol
LogP2.54
Rot. Bonds1

About (1E)-1-[1-[(Z)-ethylideneamino]-2-pyridinylidene]ethanethiol

(1E)-1-[1-[(Z)-ethylideneamino]-2-pyridinylidene]ethanethiol (PubChem CID 142910653) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is (1E)-1-[1-[(Z)-ethylideneamino]-2-pyridinylidene]ethanethiol.

Molecular Properties

Compound Name(1E)-1-[1-[(Z)-ethylideneamino]-2-pyridinylidene]ethanethiol
PubChem CID142910653
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name(1E)-1-[1-[(Z)-ethylideneamino]-2-pyridinylidene]ethanethiol
SMILESC/C=N\N1C=CC=C/C1=C(/C)S
InChIInChI=1S/C9H12N2S/c1-3-10-11-7-5-4-6-9(11)8(2)12/h3-7,12H,1-2H3/b9-8+,10-3-
InChIKeyDIKPUXHWDBXNHJ-QZKXOSAKSA-N
XLogP2.54
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(4-fluoro-2-methylidene-1-pyridinyl)ethanimine
CID 139374508
1-Methyl-6-methylidenepyridazine
CID 57558126
(Z)-N-(2-methyl-6-methylidene-1-pyridinyl)ethanimine
CID 88272988
(6Z)-1-methyl-6-prop-2-enylidenepyridazine
CID 88886126
2-hexa-2,4-dien-2-yl-3H-pyridazine
CID 91540705
N-(2-ethylidene-1-azacyclohepta-3,5,6-trien-1-yl)ethanimine
CID 123968534
N-[(2Z)-2-ethylidene-1-pyridinyl]propan-2-imine
CID 130255853
(Z)-N-[(2Z)-2-ethylidene-1-pyridinyl]ethanimine
CID 130370505
(Z)-N-(2-methylidene-1-pyridinyl)prop-2-en-1-imine
CID 131981905
6-methylidene-1-[(Z)-prop-1-enyl]pyridazine
CID 134269361
(6Z)-1-ethenyl-6-ethylidenepyridazine
CID 139376209
3H-pyrido[1,2-b]pyridazine-4-thiol
CID 142909389

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[1-[(Z)-ethylideneamino]-2-pyridinylidene]ethanethiol?
The IUPAC name of (1E)-1-[1-[(Z)-ethylideneamino]-2-pyridinylidene]ethanethiol (CID 142910653) is (1E)-1-[1-[(Z)-ethylideneamino]-2-pyridinylidene]ethanethiol.
What is the SMILES notation for (1E)-1-[1-[(Z)-ethylideneamino]-2-pyridinylidene]ethanethiol?
The canonical SMILES for (1E)-1-[1-[(Z)-ethylideneamino]-2-pyridinylidene]ethanethiol is C/C=N\N1C=CC=C/C1=C(/C)S.
What is the InChIKey of (1E)-1-[1-[(Z)-ethylideneamino]-2-pyridinylidene]ethanethiol?
The InChIKey is DIKPUXHWDBXNHJ-QZKXOSAKSA-N. The full InChI is InChI=1S/C9H12N2S/c1-3-10-11-7-5-4-6-9(11)8(2)12/h3-7,12H,1-2H3/b9-8+,10-3-.
What are the key properties of (1E)-1-[1-[(Z)-ethylideneamino]-2-pyridinylidene]ethanethiol?
(1E)-1-[1-[(Z)-ethylideneamino]-2-pyridinylidene]ethanethiol has a molecular weight of 180.28 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[1-[(Z)-ethylideneamino]-2-pyridinylidene]ethanethiol is sourced from PubChem (CID 142910653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).