ethane;(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine

C12H19NS — CID 143593368

IUPACethane;(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine
SMILESCC.[H]/N=C\C=c1\scc\c1=C\C(C)C
InChIInChI=1S/C10H13NS.C2H6/c1-8(2)7-9-4-6-12-10(9)3-5-11;1-2/h3-8,11H,1-2H3;1-2H3/b9-7-,10-3+,11-5-;
InChIKeySQPHRBWWYDUUKJ-GPDKDDLJSA-N
MW209.36 g/mol
LogP2.64
Rot. Bonds2

About ethane;(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine

ethane;(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine (PubChem CID 143593368) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is ethane;(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine.

Molecular Properties

Compound Nameethane;(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine
PubChem CID143593368
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Nameethane;(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine
SMILESCC.[H]/N=C\C=c1\scc\c1=C\C(C)C
InChIInChI=1S/C10H13NS.C2H6/c1-8(2)7-9-4-6-12-10(9)3-5-11;1-2/h3-8,11H,1-2H3;1-2H3/b9-7-,10-3+,11-5-;
InChIKeySQPHRBWWYDUUKJ-GPDKDDLJSA-N
XLogP2.64
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine
CID 87310153
(2E)-2-[(3Z)-3-(2-methylpropylidene)-1,1-dioxothiophen-2-ylidene]ethanimine
CID 88266852
(2E)-4-ethenylsulfanyl-3-methylpenta-2,4-dien-1-imine
CID 91550984
(2Z)-2-[(2E)-2-ethylidene-5-methylthiophen-3-ylidene]ethanimine
CID 122488047
2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine
CID 123368043
ethane;3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole
CID 143157875
ethane;[3-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-2-yl]methanimine
CID 144168360
(E)-3-(2-methylpropylsulfanyl)pent-2-en-1-imine
CID 146664098
(2E)-2-(4-methyl-3-methylidenethiophen-2-ylidene)propan-1-imine
CID 169811028
3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole
CID 143157876

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine?
The IUPAC name of ethane;(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine (CID 143593368) is ethane;(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine.
What is the SMILES notation for ethane;(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine?
The canonical SMILES for ethane;(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine is CC.[H]/N=C\C=c1\scc\c1=C\C(C)C.
What is the InChIKey of ethane;(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine?
The InChIKey is SQPHRBWWYDUUKJ-GPDKDDLJSA-N. The full InChI is InChI=1S/C10H13NS.C2H6/c1-8(2)7-9-4-6-12-10(9)3-5-11;1-2/h3-8,11H,1-2H3;1-2H3/b9-7-,10-3+,11-5-;.
What are the key properties of ethane;(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine?
ethane;(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine has a molecular weight of 209.36 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine is sourced from PubChem (CID 143593368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).