(2E)-N-methyl-3-methylsulfanylpenta-2,4-dien-1-imine

C7H11NS — CID 143528038

IUPAC(2E)-N-methyl-3-methylsulfanylpenta-2,4-dien-1-imine
SMILESC=C/C(=C\C=N\C)SC
InChIInChI=1S/C7H11NS/c1-4-7(9-3)5-6-8-2/h4-6H,1H2,2-3H3/b7-5+,8-6+
InChIKeyYEGVABPZEMSFHC-KQQUZDAGSA-N
MW141.24 g/mol
LogP2.12
Rot. Bonds3

About (2E)-N-methyl-3-methylsulfanylpenta-2,4-dien-1-imine

(2E)-N-methyl-3-methylsulfanylpenta-2,4-dien-1-imine (PubChem CID 143528038) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is (2E)-N-methyl-3-methylsulfanylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-N-methyl-3-methylsulfanylpenta-2,4-dien-1-imine
PubChem CID143528038
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name(2E)-N-methyl-3-methylsulfanylpenta-2,4-dien-1-imine
SMILESC=C/C(=C\C=N\C)SC
InChIInChI=1S/C7H11NS/c1-4-7(9-3)5-6-8-2/h4-6H,1H2,2-3H3/b7-5+,8-6+
InChIKeyYEGVABPZEMSFHC-KQQUZDAGSA-N
XLogP2.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-methyl-3-methylsulfanylprop-2-en-1-imine
CID 88945658
(2E,4Z)-N-methyl-3-methylsulfanylhexa-2,4-dien-1-imine
CID 90143961
methyl N-[(2Z)-penta-2,4-dienyl]ethanimidothioate
CID 90248677
(2Z,4Z)-N-(thietan-3-yl)hexa-2,4-dien-1-imine
CID 90264799
CID 90936244
CID 90936244
1,1-Dimethyl-1lambda6-thia-3-azacyclohepta-1,3,5,7-tetraene
CID 123582239
(E)-3-butylsulfanyl-N-methylprop-2-en-1-imine
CID 124148558
(E)-N-ethenyl-2-methylsulfanylbut-2-en-1-imine
CID 126524045
(E)-N-methyl-3-methylsulfanylbut-2-en-1-imine
CID 126542848
(Z)-N-[1-[(3Z)-penta-1,3-dien-2-yl]sulfanylethenyl]ethanimine
CID 141895166
(E)-N-ethyl-3-ethylsulfanylbut-2-en-1-imine
CID 141973570
N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]ethanimine
CID 142185311

Frequently Asked Questions

What is the IUPAC name of (2E)-N-methyl-3-methylsulfanylpenta-2,4-dien-1-imine?
The IUPAC name of (2E)-N-methyl-3-methylsulfanylpenta-2,4-dien-1-imine (CID 143528038) is (2E)-N-methyl-3-methylsulfanylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-N-methyl-3-methylsulfanylpenta-2,4-dien-1-imine?
The canonical SMILES for (2E)-N-methyl-3-methylsulfanylpenta-2,4-dien-1-imine is C=C/C(=C\C=N\C)SC.
What is the InChIKey of (2E)-N-methyl-3-methylsulfanylpenta-2,4-dien-1-imine?
The InChIKey is YEGVABPZEMSFHC-KQQUZDAGSA-N. The full InChI is InChI=1S/C7H11NS/c1-4-7(9-3)5-6-8-2/h4-6H,1H2,2-3H3/b7-5+,8-6+.
What are the key properties of (2E)-N-methyl-3-methylsulfanylpenta-2,4-dien-1-imine?
(2E)-N-methyl-3-methylsulfanylpenta-2,4-dien-1-imine has a molecular weight of 141.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methyl-3-methylsulfanylpenta-2,4-dien-1-imine is sourced from PubChem (CID 143528038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).