ethane;2-methyl-1,2-thiazolidine

C6H15NS — CID 142059859

IUPACethane;2-methyl-1,2-thiazolidine
SMILESCC.CN1CCCS1
InChIInChI=1S/C4H9NS.C2H6/c1-5-3-2-4-6-5;1-2/h2-4H2,1H3;1-2H3
InChIKeyPASOQEBFTBOXIX-UHFFFAOYSA-N
MW133.26 g/mol
LogP2.00
Rot. Bonds

About ethane;2-methyl-1,2-thiazolidine

ethane;2-methyl-1,2-thiazolidine (PubChem CID 142059859) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is ethane;2-methyl-1,2-thiazolidine.

Molecular Properties

Compound Nameethane;2-methyl-1,2-thiazolidine
PubChem CID142059859
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC Nameethane;2-methyl-1,2-thiazolidine
SMILESCC.CN1CCCS1
InChIInChI=1S/C4H9NS.C2H6/c1-5-3-2-4-6-5;1-2/h2-4H2,1H3;1-2H3
InChIKeyPASOQEBFTBOXIX-UHFFFAOYSA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dimethylamino-1,2-dithiolane
CID 88799846
1-Methylsulfanylpyrrolidine
CID 15113339
2-Methyl-1,2-thiazolidine
CID 13493124
2-Ethyl-1,2-thiazolidine
CID 13493125
2-Tert-butyl-1,2-thiazolidine
CID 13493126
2-Propan-2-yl-1,2-thiazolidine
CID 22897205
2-Methyl-1,2-thiazolidine 1-oxide
CID 23516051
2,3-Dimethyl-1-methylidene-1,2-thiazolidine
CID 58782516
1-Propylsulfanylpyrrolidine
CID 85899412
2-Methyl-1-methylidene-1,2-thiazolidine
CID 87152489
1-Butylsulfanylpyrrolidine
CID 87497851
2-(1,2-Thiazolidin-2-yl)ethanethiol
CID 88203106

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,2-thiazolidine?
The IUPAC name of ethane;2-methyl-1,2-thiazolidine (CID 142059859) is ethane;2-methyl-1,2-thiazolidine.
What is the SMILES notation for ethane;2-methyl-1,2-thiazolidine?
The canonical SMILES for ethane;2-methyl-1,2-thiazolidine is CC.CN1CCCS1.
What is the InChIKey of ethane;2-methyl-1,2-thiazolidine?
The InChIKey is PASOQEBFTBOXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS.C2H6/c1-5-3-2-4-6-5;1-2/h2-4H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-1,2-thiazolidine?
ethane;2-methyl-1,2-thiazolidine has a molecular weight of 133.26 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,2-thiazolidine is sourced from PubChem (CID 142059859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).