N-(thionin-2-yl)formamide

C9H9NOS — CID 174996308

IUPACN-(thionin-2-yl)formamide
SMILESO=CNc1cccccccs1
InChIInChI=1S/C9H9NOS/c11-8-10-9-6-4-2-1-3-5-7-12-9/h1-8H,(H,10,11)/b3-1-,4-2-,7-5-,9-6-
InChIKeyYKOPTSHAXPOGRY-YAOXVPLHSA-N
MW179.24 g/mol
LogP2.44
Rot. Bonds2

About N-(thionin-2-yl)formamide

N-(thionin-2-yl)formamide (PubChem CID 174996308) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is N-(thionin-2-yl)formamide.

Molecular Properties

Compound NameN-(thionin-2-yl)formamide
PubChem CID174996308
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC NameN-(thionin-2-yl)formamide
SMILESO=CNc1cccccccs1
InChIInChI=1S/C9H9NOS/c11-8-10-9-6-4-2-1-3-5-7-12-9/h1-8H,(H,10,11)/b3-1-,4-2-,7-5-,9-6-
InChIKeyYKOPTSHAXPOGRY-YAOXVPLHSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(thionin-2-yl)formamide?
The IUPAC name of N-(thionin-2-yl)formamide (CID 174996308) is N-(thionin-2-yl)formamide.
What is the SMILES notation for N-(thionin-2-yl)formamide?
The canonical SMILES for N-(thionin-2-yl)formamide is O=CNc1cccccccs1.
What is the InChIKey of N-(thionin-2-yl)formamide?
The InChIKey is YKOPTSHAXPOGRY-YAOXVPLHSA-N. The full InChI is InChI=1S/C9H9NOS/c11-8-10-9-6-4-2-1-3-5-7-12-9/h1-8H,(H,10,11)/b3-1-,4-2-,7-5-,9-6-.
What are the key properties of N-(thionin-2-yl)formamide?
N-(thionin-2-yl)formamide has a molecular weight of 179.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thionin-2-yl)formamide is sourced from PubChem (CID 174996308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).