1-(thiadiazol-4-yl)ethanethiol

C4H6N2S2 — CID 57115605

IUPAC1-(thiadiazol-4-yl)ethanethiol
SMILESCC(S)c1csnn1
InChIInChI=1S/C4H6N2S2/c1-3(7)4-2-8-6-5-4/h2-3,7H,1H3
InChIKeyJMRHFILVVZDHCM-UHFFFAOYSA-N
MW146.24 g/mol
LogP1.53
Rot. Bonds1

About 1-(thiadiazol-4-yl)ethanethiol

1-(thiadiazol-4-yl)ethanethiol (PubChem CID 57115605) has the molecular formula C4H6N2S2 and a molecular weight of 146.24 g/mol. Its IUPAC name is 1-(thiadiazol-4-yl)ethanethiol.

Molecular Properties

Compound Name1-(thiadiazol-4-yl)ethanethiol
PubChem CID57115605
Molecular FormulaC4H6N2S2
Molecular Weight146.24 g/mol
Exact Mass146.00
IUPAC Name1-(thiadiazol-4-yl)ethanethiol
SMILESCC(S)c1csnn1
InChIInChI=1S/C4H6N2S2/c1-3(7)4-2-8-6-5-4/h2-3,7H,1H3
InChIKeyJMRHFILVVZDHCM-UHFFFAOYSA-N
XLogP1.53
TPSA25.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.24
LogP ≤ 51.53
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 1-(thiadiazol-4-yl)ethanethiol?
The IUPAC name of 1-(thiadiazol-4-yl)ethanethiol (CID 57115605) is 1-(thiadiazol-4-yl)ethanethiol.
What is the SMILES notation for 1-(thiadiazol-4-yl)ethanethiol?
The canonical SMILES for 1-(thiadiazol-4-yl)ethanethiol is CC(S)c1csnn1.
What is the InChIKey of 1-(thiadiazol-4-yl)ethanethiol?
The InChIKey is JMRHFILVVZDHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S2/c1-3(7)4-2-8-6-5-4/h2-3,7H,1H3.
What are the key properties of 1-(thiadiazol-4-yl)ethanethiol?
1-(thiadiazol-4-yl)ethanethiol has a molecular weight of 146.24 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazol-4-yl)ethanethiol is sourced from PubChem (CID 57115605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).