(2,2,3-trimethyl-1,3-thiazolidin-4-yl)methanethiol

C7H15NS2 — CID 20699077

IUPAC(2,2,3-trimethyl-1,3-thiazolidin-4-yl)methanethiol
SMILESCN1C(CS)CSC1(C)C
InChIInChI=1S/C7H15NS2/c1-7(2)8(3)6(4-9)5-10-7/h6,9H,4-5H2,1-3H3
InChIKeyXMYDDCVSHADONI-UHFFFAOYSA-N
MW177.34 g/mol
LogP1.70
Rot. Bonds1

About (2,2,3-trimethyl-1,3-thiazolidin-4-yl)methanethiol

(2,2,3-trimethyl-1,3-thiazolidin-4-yl)methanethiol (PubChem CID 20699077) has the molecular formula C7H15NS2 and a molecular weight of 177.34 g/mol. Its IUPAC name is (2,2,3-trimethyl-1,3-thiazolidin-4-yl)methanethiol.

Molecular Properties

Compound Name(2,2,3-trimethyl-1,3-thiazolidin-4-yl)methanethiol
PubChem CID20699077
Molecular FormulaC7H15NS2
Molecular Weight177.34 g/mol
Exact Mass177.06
IUPAC Name(2,2,3-trimethyl-1,3-thiazolidin-4-yl)methanethiol
SMILESCN1C(CS)CSC1(C)C
InChIInChI=1S/C7H15NS2/c1-7(2)8(3)6(4-9)5-10-7/h6,9H,4-5H2,1-3H3
InChIKeyXMYDDCVSHADONI-UHFFFAOYSA-N
XLogP1.70
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2,3-trimethyl-1,3-thiazolidin-4-yl)methanethiol?
The IUPAC name of (2,2,3-trimethyl-1,3-thiazolidin-4-yl)methanethiol (CID 20699077) is (2,2,3-trimethyl-1,3-thiazolidin-4-yl)methanethiol.
What is the SMILES notation for (2,2,3-trimethyl-1,3-thiazolidin-4-yl)methanethiol?
The canonical SMILES for (2,2,3-trimethyl-1,3-thiazolidin-4-yl)methanethiol is CN1C(CS)CSC1(C)C.
What is the InChIKey of (2,2,3-trimethyl-1,3-thiazolidin-4-yl)methanethiol?
The InChIKey is XMYDDCVSHADONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS2/c1-7(2)8(3)6(4-9)5-10-7/h6,9H,4-5H2,1-3H3.
What are the key properties of (2,2,3-trimethyl-1,3-thiazolidin-4-yl)methanethiol?
(2,2,3-trimethyl-1,3-thiazolidin-4-yl)methanethiol has a molecular weight of 177.34 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3-trimethyl-1,3-thiazolidin-4-yl)methanethiol is sourced from PubChem (CID 20699077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).