N-tert-butylsulfanyl-1,1-bis(4-methylphenyl)methanimine

C19H23NS — CID 134999065

IUPACN-tert-butylsulfanyl-1,1-bis(4-methylphenyl)methanimine
SMILESCc1ccc(C(=NSC(C)(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NS/c1-14-6-10-16(11-7-14)18(20-21-19(3,4)5)17-12-8-15(2)9-13-17/h6-13H,1-5H3
InChIKeyHREYOKHCHYGCLP-UHFFFAOYSA-N
MW297.47 g/mol
LogP5.59
Rot. Bonds3

About N-tert-butylsulfanyl-1,1-bis(4-methylphenyl)methanimine

N-tert-butylsulfanyl-1,1-bis(4-methylphenyl)methanimine (PubChem CID 134999065) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-tert-butylsulfanyl-1,1-bis(4-methylphenyl)methanimine.

Molecular Properties

Compound NameN-tert-butylsulfanyl-1,1-bis(4-methylphenyl)methanimine
PubChem CID134999065
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC NameN-tert-butylsulfanyl-1,1-bis(4-methylphenyl)methanimine
SMILESCc1ccc(C(=NSC(C)(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NS/c1-14-6-10-16(11-7-14)18(20-21-19(3,4)5)17-12-8-15(2)9-13-17/h6-13H,1-5H3
InChIKeyHREYOKHCHYGCLP-UHFFFAOYSA-N
XLogP5.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.47
LogP ≤ 55.59
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

tert-butylsulfanyl-(4-methylphenyl)methaneselone
CID 10084546
(Z)-N-tert-butylsulfanyl-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethyl)phenyl]methanimine;ethane
CID 143472913
(NZ)-N-[(4-methylphenyl)-phenylmethylidene]hydroxylamine
CID 6303063
N-[bis(4-methylphenyl)methylideneamino]-4-methylaniline
CID 59951194
1-(2,2-dimethyl-1-sulfinylpropyl)-4-methylbenzene
CID 11735933
(NZ)-N-[2-amino-2-methyl-1-(4-methylphenyl)propylidene]hydroxylamine
CID 12586213
2-bromo-2-tert-butylsulfanyl-1-(4-methylphenyl)ethanone
CID 71318813
sodium 4-methylbenzoic acid
CID 164511663
alumane;4-methylbenzoic acid
CID 173230362
CID 158355468
CID 158355468
indigane;4-methylbenzoic acid
CID 173230327
(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine;phosphane
CID 172951383

Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfanyl-1,1-bis(4-methylphenyl)methanimine?
The IUPAC name of N-tert-butylsulfanyl-1,1-bis(4-methylphenyl)methanimine (CID 134999065) is N-tert-butylsulfanyl-1,1-bis(4-methylphenyl)methanimine.
What is the SMILES notation for N-tert-butylsulfanyl-1,1-bis(4-methylphenyl)methanimine?
The canonical SMILES for N-tert-butylsulfanyl-1,1-bis(4-methylphenyl)methanimine is Cc1ccc(C(=NSC(C)(C)C)c2ccc(C)cc2)cc1.
What is the InChIKey of N-tert-butylsulfanyl-1,1-bis(4-methylphenyl)methanimine?
The InChIKey is HREYOKHCHYGCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-14-6-10-16(11-7-14)18(20-21-19(3,4)5)17-12-8-15(2)9-13-17/h6-13H,1-5H3.
What are the key properties of N-tert-butylsulfanyl-1,1-bis(4-methylphenyl)methanimine?
N-tert-butylsulfanyl-1,1-bis(4-methylphenyl)methanimine has a molecular weight of 297.47 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfanyl-1,1-bis(4-methylphenyl)methanimine is sourced from PubChem (CID 134999065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).