1,3,5-triazin-2-yl N,N-bis(sulfanyl)carbamate

C4H4N4O2S2 — CID 57061210

IUPAC1,3,5-triazin-2-yl N,N-bis(sulfanyl)carbamate
SMILESO=C(Oc1ncncn1)N(S)S
InChIInChI=1S/C4H4N4O2S2/c9-4(8(11)12)10-3-6-1-5-2-7-3/h1-2,11-12H
InChIKeyBUFRQZUOBFMCCX-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.36
Rot. Bonds1

About 1,3,5-triazin-2-yl N,N-bis(sulfanyl)carbamate

1,3,5-triazin-2-yl N,N-bis(sulfanyl)carbamate (PubChem CID 57061210) has the molecular formula C4H4N4O2S2 and a molecular weight of 204.24 g/mol. Its IUPAC name is 1,3,5-triazin-2-yl N,N-bis(sulfanyl)carbamate.

Molecular Properties

Compound Name1,3,5-triazin-2-yl N,N-bis(sulfanyl)carbamate
PubChem CID57061210
Molecular FormulaC4H4N4O2S2
Molecular Weight204.24 g/mol
Exact Mass203.98
IUPAC Name1,3,5-triazin-2-yl N,N-bis(sulfanyl)carbamate
SMILESO=C(Oc1ncncn1)N(S)S
InChIInChI=1S/C4H4N4O2S2/c9-4(8(11)12)10-3-6-1-5-2-7-3/h1-2,11-12H
InChIKeyBUFRQZUOBFMCCX-UHFFFAOYSA-N
XLogP0.36
TPSA68.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 1,3,5-triazin-2-yl N,N-bis(sulfanyl)carbamate?
The IUPAC name of 1,3,5-triazin-2-yl N,N-bis(sulfanyl)carbamate (CID 57061210) is 1,3,5-triazin-2-yl N,N-bis(sulfanyl)carbamate.
What is the SMILES notation for 1,3,5-triazin-2-yl N,N-bis(sulfanyl)carbamate?
The canonical SMILES for 1,3,5-triazin-2-yl N,N-bis(sulfanyl)carbamate is O=C(Oc1ncncn1)N(S)S.
What is the InChIKey of 1,3,5-triazin-2-yl N,N-bis(sulfanyl)carbamate?
The InChIKey is BUFRQZUOBFMCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O2S2/c9-4(8(11)12)10-3-6-1-5-2-7-3/h1-2,11-12H.
What are the key properties of 1,3,5-triazin-2-yl N,N-bis(sulfanyl)carbamate?
1,3,5-triazin-2-yl N,N-bis(sulfanyl)carbamate has a molecular weight of 204.24 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazin-2-yl N,N-bis(sulfanyl)carbamate is sourced from PubChem (CID 57061210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).