N-[(Z)-chloro-(3-methylidenethiophen-2-ylidene)methyl]ethanimine

C8H8ClNS — CID 173470875

IUPACN-[(Z)-chloro-(3-methylidenethiophen-2-ylidene)methyl]ethanimine
SMILESC=c1ccs/c1=C(\Cl)N=CC
InChIInChI=1S/C8H8ClNS/c1-3-10-8(9)7-6(2)4-5-11-7/h3-5H,2H2,1H3/b8-7+,10-3?
InChIKeyTUBITFKHTQJNSG-IWGSHMPNSA-N
MW185.68 g/mol
LogP1.55
Rot. Bonds1

About N-[(Z)-chloro-(3-methylidenethiophen-2-ylidene)methyl]ethanimine

N-[(Z)-chloro-(3-methylidenethiophen-2-ylidene)methyl]ethanimine (PubChem CID 173470875) has the molecular formula C8H8ClNS and a molecular weight of 185.68 g/mol. Its IUPAC name is N-[(Z)-chloro-(3-methylidenethiophen-2-ylidene)methyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-chloro-(3-methylidenethiophen-2-ylidene)methyl]ethanimine
PubChem CID173470875
Molecular FormulaC8H8ClNS
Molecular Weight185.68 g/mol
Exact Mass185.01
IUPAC NameN-[(Z)-chloro-(3-methylidenethiophen-2-ylidene)methyl]ethanimine
SMILESC=c1ccs/c1=C(\Cl)N=CC
InChIInChI=1S/C8H8ClNS/c1-3-10-8(9)7-6(2)4-5-11-7/h3-5H,2H2,1H3/b8-7+,10-3?
InChIKeyTUBITFKHTQJNSG-IWGSHMPNSA-N
XLogP1.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-chloro-(3-methylidenethiophen-2-ylidene)methyl]ethanimine?
The IUPAC name of N-[(Z)-chloro-(3-methylidenethiophen-2-ylidene)methyl]ethanimine (CID 173470875) is N-[(Z)-chloro-(3-methylidenethiophen-2-ylidene)methyl]ethanimine.
What is the SMILES notation for N-[(Z)-chloro-(3-methylidenethiophen-2-ylidene)methyl]ethanimine?
The canonical SMILES for N-[(Z)-chloro-(3-methylidenethiophen-2-ylidene)methyl]ethanimine is C=c1ccs/c1=C(\Cl)N=CC.
What is the InChIKey of N-[(Z)-chloro-(3-methylidenethiophen-2-ylidene)methyl]ethanimine?
The InChIKey is TUBITFKHTQJNSG-IWGSHMPNSA-N. The full InChI is InChI=1S/C8H8ClNS/c1-3-10-8(9)7-6(2)4-5-11-7/h3-5H,2H2,1H3/b8-7+,10-3?.
What are the key properties of N-[(Z)-chloro-(3-methylidenethiophen-2-ylidene)methyl]ethanimine?
N-[(Z)-chloro-(3-methylidenethiophen-2-ylidene)methyl]ethanimine has a molecular weight of 185.68 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-chloro-(3-methylidenethiophen-2-ylidene)methyl]ethanimine is sourced from PubChem (CID 173470875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).