(2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine

C10H15NS — CID 139473668

IUPAC(2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine
SMILESC/N=C1\C(C)=CS\C1=C/C(C)C
InChIInChI=1S/C10H15NS/c1-7(2)5-9-10(11-4)8(3)6-12-9/h5-7H,1-4H3/b9-5-,11-10+
InChIKeyYOPXYDWUNQBIPC-CLYWSLGHSA-N
MW181.30 g/mol
LogP3.25
Rot. Bonds1

About (2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine

(2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine (PubChem CID 139473668) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is (2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine.

Molecular Properties

Compound Name(2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine
PubChem CID139473668
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name(2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine
SMILESC/N=C1\C(C)=CS\C1=C/C(C)C
InChIInChI=1S/C10H15NS/c1-7(2)5-9-10(11-4)8(3)6-12-9/h5-7H,1-4H3/b9-5-,11-10+
InChIKeyYOPXYDWUNQBIPC-CLYWSLGHSA-N
XLogP3.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine?
The IUPAC name of (2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine (CID 139473668) is (2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine.
What is the SMILES notation for (2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine?
The canonical SMILES for (2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine is C/N=C1\C(C)=CS\C1=C/C(C)C.
What is the InChIKey of (2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine?
The InChIKey is YOPXYDWUNQBIPC-CLYWSLGHSA-N. The full InChI is InChI=1S/C10H15NS/c1-7(2)5-9-10(11-4)8(3)6-12-9/h5-7H,1-4H3/b9-5-,11-10+.
What are the key properties of (2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine?
(2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine has a molecular weight of 181.30 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine is sourced from PubChem (CID 139473668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).