2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanethiol

C5H8N2S2 — CID 45123411

IUPAC2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanethiol
SMILESCc1nnc(CCS)s1
InChIInChI=1S/C5H8N2S2/c1-4-6-7-5(9-4)2-3-8/h8H,2-3H2,1H3
InChIKeySRUUFFBNBCERAQ-UHFFFAOYSA-N
MW160.27 g/mol
LogP1.32
Rot. Bonds2

About 2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanethiol

2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanethiol (PubChem CID 45123411) has the molecular formula C5H8N2S2 and a molecular weight of 160.27 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanethiol.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanethiol
PubChem CID45123411
Molecular FormulaC5H8N2S2
Molecular Weight160.27 g/mol
Exact Mass160.01
IUPAC Name2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanethiol
SMILESCc1nnc(CCS)s1
InChIInChI=1S/C5H8N2S2/c1-4-6-7-5(9-4)2-3-8/h8H,2-3H2,1H3
InChIKeySRUUFFBNBCERAQ-UHFFFAOYSA-N
XLogP1.32
TPSA25.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-methyl-1,3,4-thiadiazol-2-yl)ethanethiol?
The IUPAC name of 2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanethiol (CID 45123411) is 2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanethiol.
What is the SMILES notation for 2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanethiol?
The canonical SMILES for 2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanethiol is Cc1nnc(CCS)s1.
What is the InChIKey of 2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanethiol?
The InChIKey is SRUUFFBNBCERAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S2/c1-4-6-7-5(9-4)2-3-8/h8H,2-3H2,1H3.
What are the key properties of 2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanethiol?
2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanethiol has a molecular weight of 160.27 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanethiol is sourced from PubChem (CID 45123411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).