2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]ethanethiol

C6H11N3S3 — CID 45484392

IUPAC2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]ethanethiol
SMILESCCSc1nnc(NCCS)s1
InChIInChI=1S/C6H11N3S3/c1-2-11-6-9-8-5(12-6)7-3-4-10/h10H,2-4H2,1H3,(H,7,8)
InChIKeyCFHWXBAFEASESU-UHFFFAOYSA-N
MW221.38 g/mol
LogP1.99
Rot. Bonds5

About 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]ethanethiol

2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]ethanethiol (PubChem CID 45484392) has the molecular formula C6H11N3S3 and a molecular weight of 221.38 g/mol. Its IUPAC name is 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]ethanethiol.

Molecular Properties

Compound Name2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]ethanethiol
PubChem CID45484392
Molecular FormulaC6H11N3S3
Molecular Weight221.38 g/mol
Exact Mass221.01
IUPAC Name2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]ethanethiol
SMILESCCSc1nnc(NCCS)s1
InChIInChI=1S/C6H11N3S3/c1-2-11-6-9-8-5(12-6)7-3-4-10/h10H,2-4H2,1H3,(H,7,8)
InChIKeyCFHWXBAFEASESU-UHFFFAOYSA-N
XLogP1.99
TPSA37.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]ethanethiol?
The IUPAC name of 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]ethanethiol (CID 45484392) is 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]ethanethiol.
What is the SMILES notation for 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]ethanethiol?
The canonical SMILES for 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]ethanethiol is CCSc1nnc(NCCS)s1.
What is the InChIKey of 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]ethanethiol?
The InChIKey is CFHWXBAFEASESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S3/c1-2-11-6-9-8-5(12-6)7-3-4-10/h10H,2-4H2,1H3,(H,7,8).
What are the key properties of 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]ethanethiol?
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]ethanethiol has a molecular weight of 221.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]ethanethiol is sourced from PubChem (CID 45484392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).