N-(4,5-dihydro-1,3-thiazol-2-yl)-1,1-bis(methylsulfanyl)methanimine

C6H10N2S3 — CID 54178731

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-1,1-bis(methylsulfanyl)methanimine
SMILESCSC(=NC1=NCCS1)SC
InChIInChI=1S/C6H10N2S3/c1-9-6(10-2)8-5-7-3-4-11-5/h3-4H2,1-2H3
InChIKeyPAHBLSRQJYAHSM-UHFFFAOYSA-N
MW206.36 g/mol
LogP2.17
Rot. Bonds

About N-(4,5-dihydro-1,3-thiazol-2-yl)-1,1-bis(methylsulfanyl)methanimine

N-(4,5-dihydro-1,3-thiazol-2-yl)-1,1-bis(methylsulfanyl)methanimine (PubChem CID 54178731) has the molecular formula C6H10N2S3 and a molecular weight of 206.36 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-1,1-bis(methylsulfanyl)methanimine.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1,1-bis(methylsulfanyl)methanimine
PubChem CID54178731
Molecular FormulaC6H10N2S3
Molecular Weight206.36 g/mol
Exact Mass206.00
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1,1-bis(methylsulfanyl)methanimine
SMILESCSC(=NC1=NCCS1)SC
InChIInChI=1S/C6H10N2S3/c1-9-6(10-2)8-5-7-3-4-11-5/h3-4H2,1-2H3
InChIKeyPAHBLSRQJYAHSM-UHFFFAOYSA-N
XLogP2.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1,1-bis(methylsulfanyl)methanimine?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1,1-bis(methylsulfanyl)methanimine (CID 54178731) is N-(4,5-dihydro-1,3-thiazol-2-yl)-1,1-bis(methylsulfanyl)methanimine.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-1,1-bis(methylsulfanyl)methanimine?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-1,1-bis(methylsulfanyl)methanimine is CSC(=NC1=NCCS1)SC.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-1,1-bis(methylsulfanyl)methanimine?
The InChIKey is PAHBLSRQJYAHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S3/c1-9-6(10-2)8-5-7-3-4-11-5/h3-4H2,1-2H3.
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-1,1-bis(methylsulfanyl)methanimine?
N-(4,5-dihydro-1,3-thiazol-2-yl)-1,1-bis(methylsulfanyl)methanimine has a molecular weight of 206.36 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-1,1-bis(methylsulfanyl)methanimine is sourced from PubChem (CID 54178731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).