0FI

N-phenylthioformamide

Created:	2012-04-08
Last modified:	2024-09-27

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2 entries where 0FI is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	6

2D diagram of 0FI

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Chemical Component Summary
Name	N-phenylthioformamide
Synonyms	PHENYL ISOTHIOCYANATE, bound form
Systematic Name (OpenEye OEToolkits)	N-phenylmethanethioamide
Formula	C₇ H₇ N S
Molecular Weight	137.202
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	S=CNc1ccccc1
SMILES	CACTVS	3.370	S=CNc1ccccc1
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)NC=S
Canonical SMILES	CACTVS	3.370	S=CNc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)NC=S
InChI	InChI	1.03	InChI=1S/C7H7NS/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)
InChIKey	InChI	1.03	UNRRVOATHRPYDX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	12501, 3032341

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.