(E)-N-tert-butylsulfanyl-1-(3,5-ditert-butylphenyl)methanimine

C19H31NS — CID 130474035

IUPAC(E)-N-tert-butylsulfanyl-1-(3,5-ditert-butylphenyl)methanimine
SMILESCC(C)(C)S/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C19H31NS/c1-17(2,3)15-10-14(13-20-21-19(7,8)9)11-16(12-15)18(4,5)6/h10-13H,1-9H3/b20-13+
InChIKeyMGSPIRCNGVRYDC-DEDYPNTBSA-N
MW305.53 g/mol
LogP6.15
Rot. Bonds2

About (E)-N-tert-butylsulfanyl-1-(3,5-ditert-butylphenyl)methanimine

(E)-N-tert-butylsulfanyl-1-(3,5-ditert-butylphenyl)methanimine (PubChem CID 130474035) has the molecular formula C19H31NS and a molecular weight of 305.53 g/mol. Its IUPAC name is (E)-N-tert-butylsulfanyl-1-(3,5-ditert-butylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-tert-butylsulfanyl-1-(3,5-ditert-butylphenyl)methanimine
PubChem CID130474035
Molecular FormulaC19H31NS
Molecular Weight305.53 g/mol
Exact Mass305.22
IUPAC Name(E)-N-tert-butylsulfanyl-1-(3,5-ditert-butylphenyl)methanimine
SMILESCC(C)(C)S/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C19H31NS/c1-17(2,3)15-10-14(13-20-21-19(7,8)9)11-16(12-15)18(4,5)6/h10-13H,1-9H3/b20-13+
InChIKeyMGSPIRCNGVRYDC-DEDYPNTBSA-N
XLogP6.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.53
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]methanimine
CID 174813041
1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene
CID 4625492
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 14708009
N-(3,5-ditert-butylphenyl)-1-[4-[(3,5-ditert-butylphenyl)iminomethyl]phenyl]methanimine
CID 132601472
ethane;methane;1,3,5-tritert-butylbenzene
CID 144683024
5-[3-(tert-butylsulfanyliminomethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 173487861
1,3-ditert-butyl-5-[(E)-2-[3-(2,2-dibromoethenyl)-5-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 87326853
(E)-1-(2-bromo-1,3-thiazol-5-yl)-N-tert-butylsulfanylmethanimine
CID 176960204
(Z)-N-tert-butylsulfanyl-1-(3,6-dibromo-2-pyridinyl)methanimine
CID 134275991
3-tert-butyl-5-(2-hydroxypropan-2-yl)benzaldehyde
CID 90399750
N-tert-butyl-1-(3-tert-butylphenyl)methanimine
CID 22968786

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butylsulfanyl-1-(3,5-ditert-butylphenyl)methanimine?
The IUPAC name of (E)-N-tert-butylsulfanyl-1-(3,5-ditert-butylphenyl)methanimine (CID 130474035) is (E)-N-tert-butylsulfanyl-1-(3,5-ditert-butylphenyl)methanimine.
What is the SMILES notation for (E)-N-tert-butylsulfanyl-1-(3,5-ditert-butylphenyl)methanimine?
The canonical SMILES for (E)-N-tert-butylsulfanyl-1-(3,5-ditert-butylphenyl)methanimine is CC(C)(C)S/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1.
What is the InChIKey of (E)-N-tert-butylsulfanyl-1-(3,5-ditert-butylphenyl)methanimine?
The InChIKey is MGSPIRCNGVRYDC-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H31NS/c1-17(2,3)15-10-14(13-20-21-19(7,8)9)11-16(12-15)18(4,5)6/h10-13H,1-9H3/b20-13+.
What are the key properties of (E)-N-tert-butylsulfanyl-1-(3,5-ditert-butylphenyl)methanimine?
(E)-N-tert-butylsulfanyl-1-(3,5-ditert-butylphenyl)methanimine has a molecular weight of 305.53 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butylsulfanyl-1-(3,5-ditert-butylphenyl)methanimine is sourced from PubChem (CID 130474035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).