ethane;N-(3-ethenylthiophen-2-yl)methanimine

C9H13NS — CID 142810778

IUPACethane;N-(3-ethenylthiophen-2-yl)methanimine
SMILESC=Cc1ccsc1N=C.CC
InChIInChI=1S/C7H7NS.C2H6/c1-3-6-4-5-9-7(6)8-2;1-2/h3-5H,1-2H2;1-2H3
InChIKeyNAUVXKLHCBFRPA-UHFFFAOYSA-N
MW167.28 g/mol
LogP3.75
Rot. Bonds2

About ethane;N-(3-ethenylthiophen-2-yl)methanimine

ethane;N-(3-ethenylthiophen-2-yl)methanimine (PubChem CID 142810778) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is ethane;N-(3-ethenylthiophen-2-yl)methanimine.

Molecular Properties

Compound Nameethane;N-(3-ethenylthiophen-2-yl)methanimine
PubChem CID142810778
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Nameethane;N-(3-ethenylthiophen-2-yl)methanimine
SMILESC=Cc1ccsc1N=C.CC
InChIInChI=1S/C7H7NS.C2H6/c1-3-6-4-5-9-7(6)8-2;1-2/h3-5H,1-2H2;1-2H3
InChIKeyNAUVXKLHCBFRPA-UHFFFAOYSA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethenylthiophen-2-yl)thiophene-3-carbaldehyde
CID 163903567
N-(3-ethenylthiophen-2-yl)acetamide
CID 165358616
3-ethenyl-2-phenylthiophene
CID 172700355
7-ethenylthieno[3,2-c]pyridine
CID 142514449
ethane;2-ethenyl-3-methylthiophene;prop-1-ene
CID 143900097
1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane
CID 143099406
1,2-bis(ethenyl)benzene;ethane;prop-1-ene
CID 143139503
ethane;N-(3-ethenyl-5-methylfuran-2-yl)methanimine
CID 153352479
ethane;6-ethenyl-5-methylsulfanyl-1-benzothiophene;methane
CID 170633170
2-bromothiophene-3-carbaldehyde;ethane
CID 144931320
(5-ethenyl-6-methyl-2-pyridinyl)hydrazine
CID 74889048
N-(3-ethenyl-1H-pyrrol-2-yl)methanimine
CID 142590840

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-ethenylthiophen-2-yl)methanimine?
The IUPAC name of ethane;N-(3-ethenylthiophen-2-yl)methanimine (CID 142810778) is ethane;N-(3-ethenylthiophen-2-yl)methanimine.
What is the SMILES notation for ethane;N-(3-ethenylthiophen-2-yl)methanimine?
The canonical SMILES for ethane;N-(3-ethenylthiophen-2-yl)methanimine is C=Cc1ccsc1N=C.CC.
What is the InChIKey of ethane;N-(3-ethenylthiophen-2-yl)methanimine?
The InChIKey is NAUVXKLHCBFRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS.C2H6/c1-3-6-4-5-9-7(6)8-2;1-2/h3-5H,1-2H2;1-2H3.
What are the key properties of ethane;N-(3-ethenylthiophen-2-yl)methanimine?
ethane;N-(3-ethenylthiophen-2-yl)methanimine has a molecular weight of 167.28 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-ethenylthiophen-2-yl)methanimine is sourced from PubChem (CID 142810778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).