5-(2-methylsulfanylethylamino)-3H-1,3,4-thiadiazole-2-thione

C5H9N3S3 — CID 63957767

IUPAC5-(2-methylsulfanylethylamino)-3H-1,3,4-thiadiazole-2-thione
SMILESCSCCNc1n[nH]c(=S)s1
InChIInChI=1S/C5H9N3S3/c1-10-3-2-6-4-7-8-5(9)11-4/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKeyRIHWKXCJGSQYNY-UHFFFAOYSA-N
MW207.35 g/mol
LogP1.98
Rot. Bonds4

About 5-(2-methylsulfanylethylamino)-3H-1,3,4-thiadiazole-2-thione

5-(2-methylsulfanylethylamino)-3H-1,3,4-thiadiazole-2-thione (PubChem CID 63957767) has the molecular formula C5H9N3S3 and a molecular weight of 207.35 g/mol. Its IUPAC name is 5-(2-methylsulfanylethylamino)-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-(2-methylsulfanylethylamino)-3H-1,3,4-thiadiazole-2-thione
PubChem CID63957767
Molecular FormulaC5H9N3S3
Molecular Weight207.35 g/mol
Exact Mass207.00
IUPAC Name5-(2-methylsulfanylethylamino)-3H-1,3,4-thiadiazole-2-thione
SMILESCSCCNc1n[nH]c(=S)s1
InChIInChI=1S/C5H9N3S3/c1-10-3-2-6-4-7-8-5(9)11-4/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKeyRIHWKXCJGSQYNY-UHFFFAOYSA-N
XLogP1.98
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(Ethylamino)-1,3,4-thiadiazole-2-thiol
CID 4907629
5-(Propylamino)-1,3,4-thiadiazole-2-thiol
CID 4962618
5-[2-(trifluoromethylsulfanyl)ethylamino]-3H-1,3,4-thiadiazole-2-thione
CID 106431271
5-[2-(methylamino)ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
CID 22890082
dimethyl-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethyl]azanium
CID 6946844
5-(2-methylsulfonylethylamino)-3H-1,3,4-thiadiazole-2-thione
CID 60918008
5-(3-methylsulfanylpropylamino)-3H-1,3,4-thiadiazole-2-thione
CID 63957768
5-[(2-methyl-3-methylsulfanylpropyl)amino]-3H-1,3,4-thiadiazole-2-thione
CID 63957769
5-(5-methylsulfanylpentylamino)-3H-1,3,4-thiadiazole-2-thione
CID 105915534
5-[methyl(2-methylsulfanylethyl)amino]-3H-1,3,4-thiadiazole-2-thione
CID 112663975
5-(2-methylsulfanylpropylamino)-3H-1,3,4-thiadiazole-2-thione
CID 116041770
5-(4-methylsulfanylbutan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione
CID 116130585

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylethylamino)-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-(2-methylsulfanylethylamino)-3H-1,3,4-thiadiazole-2-thione (CID 63957767) is 5-(2-methylsulfanylethylamino)-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-(2-methylsulfanylethylamino)-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-(2-methylsulfanylethylamino)-3H-1,3,4-thiadiazole-2-thione is CSCCNc1n[nH]c(=S)s1.
What is the InChIKey of 5-(2-methylsulfanylethylamino)-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is RIHWKXCJGSQYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S3/c1-10-3-2-6-4-7-8-5(9)11-4/h2-3H2,1H3,(H,6,7)(H,8,9).
What are the key properties of 5-(2-methylsulfanylethylamino)-3H-1,3,4-thiadiazole-2-thione?
5-(2-methylsulfanylethylamino)-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 207.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylethylamino)-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 63957767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).