93B

1,3-diazinane-2-thione

Created:	2017-04-13
Last modified:	2017-07-12

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	15
Aromatic Bond Count	0

2D diagram of 93B

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Chemical Component Summary
Name	1,3-diazinane-2-thione
Systematic Name (OpenEye OEToolkits)	1,3-diazinane-2-thione
Formula	C₄ H₈ N₂ S
Molecular Weight	116.185
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	S=C1NCCCN1
SMILES	OpenEye OEToolkits	2.0.6	C1CNC(=S)NC1
Canonical SMILES	CACTVS	3.385	S=C1NCCCN1
Canonical SMILES	OpenEye OEToolkits	2.0.6	C1CNC(=S)NC1
InChI	InChI	1.03	InChI=1S/C4H8N2S/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)
InChIKey	InChI	1.03	NVHNGVXBCWYLFA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2723785, 16336
ChEMBL	CHEMBL11938
CCDC/CSD	TMETHU02, TMETHU01

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.