N-[2-(2-methylpropylsulfanyl)prop-1-enyl]methanimine;rhenium

C8H14NReS- — CID 171620972

IUPACN-[2-(2-methylpropylsulfanyl)prop-1-enyl]methanimine;rhenium
SMILESC=N/[C-]=C(\C)SCC(C)C.[Re]
InChIInChI=1S/C8H14NS.Re/c1-7(2)6-10-8(3)5-9-4;/h7H,4,6H2,1-3H3;/q-1;
InChIKeySTZITAQRSZTQQA-UHFFFAOYSA-N
MW342.48 g/mol
LogP2.74
Rot. Bonds4

About N-[2-(2-methylpropylsulfanyl)prop-1-enyl]methanimine;rhenium

N-[2-(2-methylpropylsulfanyl)prop-1-enyl]methanimine;rhenium (PubChem CID 171620972) has the molecular formula C8H14NReS- and a molecular weight of 342.48 g/mol. Its IUPAC name is N-[2-(2-methylpropylsulfanyl)prop-1-enyl]methanimine;rhenium.

Molecular Properties

Compound NameN-[2-(2-methylpropylsulfanyl)prop-1-enyl]methanimine;rhenium
PubChem CID171620972
Molecular FormulaC8H14NReS-
Molecular Weight342.48 g/mol
Exact Mass343.04
IUPAC NameN-[2-(2-methylpropylsulfanyl)prop-1-enyl]methanimine;rhenium
SMILESC=N/[C-]=C(\C)SCC(C)C.[Re]
InChIInChI=1S/C8H14NS.Re/c1-7(2)6-10-8(3)5-9-4;/h7H,4,6H2,1-3H3;/q-1;
InChIKeySTZITAQRSZTQQA-UHFFFAOYSA-N
XLogP2.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl N'-methylcarbamimidothioate
CID 126994362
2-methylpropylsulfanylmethanedithioic acid
CID 15919791
2-methylpropyl N'-propan-2-ylcarbamimidothioate;hydrochloride
CID 131224139
potassium 2-methylpropylsulfanylmethanethioate
CID 23716794
(Z)-2-(methylideneamino)-1-(2-methylpropylsulfanyl)-2-phenylethenamine
CID 143726609
2-methylpropyl N,N-dimethylcarbamodithioate
CID 524154
methyl 2-methylpropylsulfanylformate
CID 178163148
2-methylpropyl N-aminocarbamodithioate
CID 55280604
2-methylpropyl(2-methylpropylsulfanylcarbothioyl)azanide;molybdenum
CID 174981832
2-methylpropyl N-(2-methylpropyl)carbamodithioate;zinc
CID 137373020
2,5-dimethylhex-2-ene;rubidium(1+)
CID 163273002
2-methylpropyl N'-(3,5-dimethylphenyl)carbamimidothioate
CID 8775455

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropylsulfanyl)prop-1-enyl]methanimine;rhenium?
The IUPAC name of N-[2-(2-methylpropylsulfanyl)prop-1-enyl]methanimine;rhenium (CID 171620972) is N-[2-(2-methylpropylsulfanyl)prop-1-enyl]methanimine;rhenium.
What is the SMILES notation for N-[2-(2-methylpropylsulfanyl)prop-1-enyl]methanimine;rhenium?
The canonical SMILES for N-[2-(2-methylpropylsulfanyl)prop-1-enyl]methanimine;rhenium is C=N/[C-]=C(\C)SCC(C)C.[Re].
What is the InChIKey of N-[2-(2-methylpropylsulfanyl)prop-1-enyl]methanimine;rhenium?
The InChIKey is STZITAQRSZTQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NS.Re/c1-7(2)6-10-8(3)5-9-4;/h7H,4,6H2,1-3H3;/q-1;.
What are the key properties of N-[2-(2-methylpropylsulfanyl)prop-1-enyl]methanimine;rhenium?
N-[2-(2-methylpropylsulfanyl)prop-1-enyl]methanimine;rhenium has a molecular weight of 342.48 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropylsulfanyl)prop-1-enyl]methanimine;rhenium is sourced from PubChem (CID 171620972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).