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

C4H6N2S2 — CID 20699673

IUPAC(5-methyl-1,2,4-thiadiazol-3-yl)methanethiol
SMILESCc1nc(CS)ns1
InChIInChI=1S/C4H6N2S2/c1-3-5-4(2-7)6-8-3/h7H,2H2,1H3
InChIKeyPJZUWALXTMGUGY-UHFFFAOYSA-N
MW146.24 g/mol
LogP1.28
Rot. Bonds1

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

(5-methyl-1,2,4-thiadiazol-3-yl)methanethiol (PubChem CID 20699673) has the molecular formula C4H6N2S2 and a molecular weight of 146.24 g/mol. Its IUPAC name is (5-methyl-1,2,4-thiadiazol-3-yl)methanethiol.

Molecular Properties

Compound Name(5-methyl-1,2,4-thiadiazol-3-yl)methanethiol
PubChem CID20699673
Molecular FormulaC4H6N2S2
Molecular Weight146.24 g/mol
Exact Mass146.00
IUPAC Name(5-methyl-1,2,4-thiadiazol-3-yl)methanethiol
SMILESCc1nc(CS)ns1
InChIInChI=1S/C4H6N2S2/c1-3-5-4(2-7)6-8-3/h7H,2H2,1H3
InChIKeyPJZUWALXTMGUGY-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl-1,2,4-thiadiazole
CID 13028086
5-Chloro-3-((methylthio)methyl)-1,2,4-thiadiazole
CID 54274939
5-(Bromomethyl)-3-methyl-1,2,4-thiadiazole
CID 143843685
3,5-Diethyl-1,2,4-thiadiazole
CID 67571441
3-(Methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 62691499
3-Ethylsulfanyl-5-methyl-1,2,4-thiadiazole
CID 21052294
5-Methyl-3-methylsulfanyl-1,2,4-thiadiazole
CID 21365791
3-Methyl-1,2,4-thiadiazole-5-carbonitrile
CID 22099279
3-N,3-N,5-N,5-N-tetrakis(ethylsulfanyl)-1,2,4-thiadiazole-3,5-dicarbothioamide
CID 22407691
3-Ethyl-5-methyl-1,2,4-thiadiazole
CID 22947825
5-Ethyl-3-methyl-1,2,4-thiadiazole
CID 23528320
2-(5-Methyl-1,2,4-thiadiazol-3-yl)ethanethial
CID 54034921

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2,4-thiadiazol-3-yl)methanethiol?
The IUPAC name of (5-methyl-1,2,4-thiadiazol-3-yl)methanethiol (CID 20699673) is (5-methyl-1,2,4-thiadiazol-3-yl)methanethiol.
What is the SMILES notation for (5-methyl-1,2,4-thiadiazol-3-yl)methanethiol?
The canonical SMILES for (5-methyl-1,2,4-thiadiazol-3-yl)methanethiol is Cc1nc(CS)ns1.
What is the InChIKey of (5-methyl-1,2,4-thiadiazol-3-yl)methanethiol?
The InChIKey is PJZUWALXTMGUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S2/c1-3-5-4(2-7)6-8-3/h7H,2H2,1H3.
What are the key properties of (5-methyl-1,2,4-thiadiazol-3-yl)methanethiol?
(5-methyl-1,2,4-thiadiazol-3-yl)methanethiol has a molecular weight of 146.24 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2,4-thiadiazol-3-yl)methanethiol is sourced from PubChem (CID 20699673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).