N,3-dimethyl-2-methylsulfanylbut-2-en-1-imine

C7H13NS — CID 142871216

IUPACN,3-dimethyl-2-methylsulfanylbut-2-en-1-imine
SMILESC/N=C/C(SC)=C(C)C
InChIInChI=1S/C7H13NS/c1-6(2)7(9-4)5-8-3/h5H,1-4H3/b8-5+
InChIKeySTQDAMKTGZHHSO-VMPITWQZSA-N
MW143.25 g/mol
LogP2.34
Rot. Bonds2

About N,3-dimethyl-2-methylsulfanylbut-2-en-1-imine

N,3-dimethyl-2-methylsulfanylbut-2-en-1-imine (PubChem CID 142871216) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is N,3-dimethyl-2-methylsulfanylbut-2-en-1-imine.

Molecular Properties

Compound NameN,3-dimethyl-2-methylsulfanylbut-2-en-1-imine
PubChem CID142871216
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC NameN,3-dimethyl-2-methylsulfanylbut-2-en-1-imine
SMILESC/N=C/C(SC)=C(C)C
InChIInChI=1S/C7H13NS/c1-6(2)7(9-4)5-8-3/h5H,1-4H3/b8-5+
InChIKeySTQDAMKTGZHHSO-VMPITWQZSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.34
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

(3-Methyl-1-methyliminobut-2-en-2-yl) thiohypofluorite
CID 142870269
N-methyl-2-(2-methylprop-1-enylsulfanyl)prop-2-en-1-imine
CID 91360224
(Z)-2-methyl-3-methylsulfanylbut-2-en-1-imine
CID 117768338
N-methyl-2-methylsulfanylprop-2-en-1-imine
CID 121247619
4-methyl-3-methylsulfanyl-2H-pyrrole
CID 173508427
3-Methyl-1-methyliminobut-2-ene-2-thiol
CID 142339782

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-methylsulfanylbut-2-en-1-imine?
The IUPAC name of N,3-dimethyl-2-methylsulfanylbut-2-en-1-imine (CID 142871216) is N,3-dimethyl-2-methylsulfanylbut-2-en-1-imine.
What is the SMILES notation for N,3-dimethyl-2-methylsulfanylbut-2-en-1-imine?
The canonical SMILES for N,3-dimethyl-2-methylsulfanylbut-2-en-1-imine is C/N=C/C(SC)=C(C)C.
What is the InChIKey of N,3-dimethyl-2-methylsulfanylbut-2-en-1-imine?
The InChIKey is STQDAMKTGZHHSO-VMPITWQZSA-N. The full InChI is InChI=1S/C7H13NS/c1-6(2)7(9-4)5-8-3/h5H,1-4H3/b8-5+.
What are the key properties of N,3-dimethyl-2-methylsulfanylbut-2-en-1-imine?
N,3-dimethyl-2-methylsulfanylbut-2-en-1-imine has a molecular weight of 143.25 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-methylsulfanylbut-2-en-1-imine is sourced from PubChem (CID 142871216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).