N-(10-methylidene-9H-thioxanthen-3-yl)acetamide

C16H15NOS — CID 58961344

IUPACN-(10-methylidene-9H-thioxanthen-3-yl)acetamide
SMILESC=S1c2ccccc2Cc2ccc(NC(C)=O)cc21
InChIInChI=1S/C16H15NOS/c1-11(18)17-14-8-7-13-9-12-5-3-4-6-15(12)19(2)16(13)10-14/h3-8,10H,2,9H2,1H3,(H,17,18)
InChIKeyRTMYIKPNRNIYJA-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.67
Rot. Bonds1

About N-(10-methylidene-9H-thioxanthen-3-yl)acetamide

N-(10-methylidene-9H-thioxanthen-3-yl)acetamide (PubChem CID 58961344) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(10-methylidene-9H-thioxanthen-3-yl)acetamide.

Molecular Properties

Compound NameN-(10-methylidene-9H-thioxanthen-3-yl)acetamide
PubChem CID58961344
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC NameN-(10-methylidene-9H-thioxanthen-3-yl)acetamide
SMILESC=S1c2ccccc2Cc2ccc(NC(C)=O)cc21
InChIInChI=1S/C16H15NOS/c1-11(18)17-14-8-7-13-9-12-5-3-4-6-15(12)19(2)16(13)10-14/h3-8,10H,2,9H2,1H3,(H,17,18)
InChIKeyRTMYIKPNRNIYJA-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(10-methylidene-9H-thioxanthen-3-yl)acetamide?
The IUPAC name of N-(10-methylidene-9H-thioxanthen-3-yl)acetamide (CID 58961344) is N-(10-methylidene-9H-thioxanthen-3-yl)acetamide.
What is the SMILES notation for N-(10-methylidene-9H-thioxanthen-3-yl)acetamide?
The canonical SMILES for N-(10-methylidene-9H-thioxanthen-3-yl)acetamide is C=S1c2ccccc2Cc2ccc(NC(C)=O)cc21.
What is the InChIKey of N-(10-methylidene-9H-thioxanthen-3-yl)acetamide?
The InChIKey is RTMYIKPNRNIYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-11(18)17-14-8-7-13-9-12-5-3-4-6-15(12)19(2)16(13)10-14/h3-8,10H,2,9H2,1H3,(H,17,18).
What are the key properties of N-(10-methylidene-9H-thioxanthen-3-yl)acetamide?
N-(10-methylidene-9H-thioxanthen-3-yl)acetamide has a molecular weight of 269.37 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-methylidene-9H-thioxanthen-3-yl)acetamide is sourced from PubChem (CID 58961344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).