N-tert-butyl-N,N'-bis(sulfanylmethyl)ethanimidamide

C8H18N2S2 — CID 164812929

IUPACN-tert-butyl-N,N'-bis(sulfanylmethyl)ethanimidamide
SMILESC/C(=N/CS)N(CS)C(C)(C)C
InChIInChI=1S/C8H18N2S2/c1-7(9-5-11)10(6-12)8(2,3)4/h11-12H,5-6H2,1-4H3/b9-7-
InChIKeyKSHDUXILUPHKPI-CLFYSBASSA-N
MW206.38 g/mol
LogP2.28
Rot. Bonds2

About N-tert-butyl-N,N'-bis(sulfanylmethyl)ethanimidamide

N-tert-butyl-N,N'-bis(sulfanylmethyl)ethanimidamide (PubChem CID 164812929) has the molecular formula C8H18N2S2 and a molecular weight of 206.38 g/mol. Its IUPAC name is N-tert-butyl-N,N'-bis(sulfanylmethyl)ethanimidamide.

Molecular Properties

Compound NameN-tert-butyl-N,N'-bis(sulfanylmethyl)ethanimidamide
PubChem CID164812929
Molecular FormulaC8H18N2S2
Molecular Weight206.38 g/mol
Exact Mass206.09
IUPAC NameN-tert-butyl-N,N'-bis(sulfanylmethyl)ethanimidamide
SMILESC/C(=N/CS)N(CS)C(C)(C)C
InChIInChI=1S/C8H18N2S2/c1-7(9-5-11)10(6-12)8(2,3)4/h11-12H,5-6H2,1-4H3/b9-7-
InChIKeyKSHDUXILUPHKPI-CLFYSBASSA-N
XLogP2.28
TPSA15.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-N,N'-dimethylethanimidamide
CID 20806828
1-[Tert-butyl(methyl)amino]ethylidene-dimethylazanium
CID 117706612
1-[Tert-butyl(methyl)amino]ethylidene-dimethylazanium;methane
CID 160319888
N-propan-2-yl-N,N'-bis(sulfanylmethyl)ethanimidamide
CID 164812943
N-propan-2-yl-N,N'-bis(sulfanylmethyl)ethanimidamide
CID 164990483
N-tert-butyl-N,N'-bis(sulfanylmethyl)ethanimidamide
CID 164990486
N,N'-ditert-butyl-N-methylethanimidamide
CID 174108678

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N,N'-bis(sulfanylmethyl)ethanimidamide?
The IUPAC name of N-tert-butyl-N,N'-bis(sulfanylmethyl)ethanimidamide (CID 164812929) is N-tert-butyl-N,N'-bis(sulfanylmethyl)ethanimidamide.
What is the SMILES notation for N-tert-butyl-N,N'-bis(sulfanylmethyl)ethanimidamide?
The canonical SMILES for N-tert-butyl-N,N'-bis(sulfanylmethyl)ethanimidamide is C/C(=N/CS)N(CS)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N,N'-bis(sulfanylmethyl)ethanimidamide?
The InChIKey is KSHDUXILUPHKPI-CLFYSBASSA-N. The full InChI is InChI=1S/C8H18N2S2/c1-7(9-5-11)10(6-12)8(2,3)4/h11-12H,5-6H2,1-4H3/b9-7-.
What are the key properties of N-tert-butyl-N,N'-bis(sulfanylmethyl)ethanimidamide?
N-tert-butyl-N,N'-bis(sulfanylmethyl)ethanimidamide has a molecular weight of 206.38 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N,N'-bis(sulfanylmethyl)ethanimidamide is sourced from PubChem (CID 164812929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).