3-(1,1-dioxothiolan-3-yl)sulfanyl-1H-1,2,4-triazol-5-amine

C6H10N4O2S2 — CID 43638487

IUPAC3-(1,1-dioxothiolan-3-yl)sulfanyl-1H-1,2,4-triazol-5-amine
SMILESNc1nc(SC2CCS(=O)(=O)C2)n[nH]1
InChIInChI=1S/C6H10N4O2S2/c7-5-8-6(10-9-5)13-4-1-2-14(11,12)3-4/h4H,1-3H2,(H3,7,8,9,10)
InChIKeyWEBFKMHWXYVSQN-UHFFFAOYSA-N
MW234.31 g/mol
LogP-0.33
Rot. Bonds2

About 3-(1,1-dioxothiolan-3-yl)sulfanyl-1H-1,2,4-triazol-5-amine

3-(1,1-dioxothiolan-3-yl)sulfanyl-1H-1,2,4-triazol-5-amine (PubChem CID 43638487) has the molecular formula C6H10N4O2S2 and a molecular weight of 234.31 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-3-yl)sulfanyl-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-3-yl)sulfanyl-1H-1,2,4-triazol-5-amine
PubChem CID43638487
Molecular FormulaC6H10N4O2S2
Molecular Weight234.31 g/mol
Exact Mass234.02
IUPAC Name3-(1,1-dioxothiolan-3-yl)sulfanyl-1H-1,2,4-triazol-5-amine
SMILESNc1nc(SC2CCS(=O)(=O)C2)n[nH]1
InChIInChI=1S/C6H10N4O2S2/c7-5-8-6(10-9-5)13-4-1-2-14(11,12)3-4/h4H,1-3H2,(H3,7,8,9,10)
InChIKeyWEBFKMHWXYVSQN-UHFFFAOYSA-N
XLogP-0.33
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiolan-3-yl)sulfanyl-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-(1,1-dioxothiolan-3-yl)sulfanyl-1H-1,2,4-triazol-5-amine (CID 43638487) is 3-(1,1-dioxothiolan-3-yl)sulfanyl-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-(1,1-dioxothiolan-3-yl)sulfanyl-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-(1,1-dioxothiolan-3-yl)sulfanyl-1H-1,2,4-triazol-5-amine is Nc1nc(SC2CCS(=O)(=O)C2)n[nH]1.
What is the InChIKey of 3-(1,1-dioxothiolan-3-yl)sulfanyl-1H-1,2,4-triazol-5-amine?
The InChIKey is WEBFKMHWXYVSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S2/c7-5-8-6(10-9-5)13-4-1-2-14(11,12)3-4/h4H,1-3H2,(H3,7,8,9,10).
What are the key properties of 3-(1,1-dioxothiolan-3-yl)sulfanyl-1H-1,2,4-triazol-5-amine?
3-(1,1-dioxothiolan-3-yl)sulfanyl-1H-1,2,4-triazol-5-amine has a molecular weight of 234.31 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiolan-3-yl)sulfanyl-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 43638487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).