N-(1H-indol-2-yl)-N-sulfanylformamide

C9H8N2OS — CID 174581698

IUPACN-(1H-indol-2-yl)-N-sulfanylformamide
SMILESO=CN(S)c1cc2ccccc2[nH]1
InChIInChI=1S/C9H8N2OS/c12-6-11(13)9-5-7-3-1-2-4-8(7)10-9/h1-6,10,13H
InChIKeyNEWMICZPDJCTRF-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.98
Rot. Bonds2

About N-(1H-indol-2-yl)-N-sulfanylformamide

N-(1H-indol-2-yl)-N-sulfanylformamide (PubChem CID 174581698) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is N-(1H-indol-2-yl)-N-sulfanylformamide.

Molecular Properties

Compound NameN-(1H-indol-2-yl)-N-sulfanylformamide
PubChem CID174581698
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC NameN-(1H-indol-2-yl)-N-sulfanylformamide
SMILESO=CN(S)c1cc2ccccc2[nH]1
InChIInChI=1S/C9H8N2OS/c12-6-11(13)9-5-7-3-1-2-4-8(7)10-9/h1-6,10,13H
InChIKeyNEWMICZPDJCTRF-UHFFFAOYSA-N
XLogP1.98
TPSA36.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-2-yl)-N-sulfanylformamide?
The IUPAC name of N-(1H-indol-2-yl)-N-sulfanylformamide (CID 174581698) is N-(1H-indol-2-yl)-N-sulfanylformamide.
What is the SMILES notation for N-(1H-indol-2-yl)-N-sulfanylformamide?
The canonical SMILES for N-(1H-indol-2-yl)-N-sulfanylformamide is O=CN(S)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(1H-indol-2-yl)-N-sulfanylformamide?
The InChIKey is NEWMICZPDJCTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c12-6-11(13)9-5-7-3-1-2-4-8(7)10-9/h1-6,10,13H.
What are the key properties of N-(1H-indol-2-yl)-N-sulfanylformamide?
N-(1H-indol-2-yl)-N-sulfanylformamide has a molecular weight of 192.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-2-yl)-N-sulfanylformamide is sourced from PubChem (CID 174581698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).