STH

2-AMINO-4H-1,3-BENZOXATHIIN-4-OL

Created:	2004-11-03
Last modified:	2024-09-27

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1 entries where STH is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	2
Bond Count	22
Aromatic Bond Count	6

2D diagram of STH

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Chemical Component Summary
Name	2-AMINO-4H-1,3-BENZOXATHIIN-4-OL
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-4H-1,3-benzoxathiin-4-ol
Formula	C₈ H₉ N O₂ S
Molecular Weight	183.228
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O2c1ccccc1C(O)SC2N
SMILES	CACTVS	3.341	N[CH]1Oc2ccccc2[CH](O)S1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)C(SC(O2)N)O
Canonical SMILES	CACTVS	3.341	N[C@H]1Oc2ccccc2[C@H](O)S1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)C(S[C@H](O2)N)O
InChI	InChI	1.03	InChI=1S/C8H9NO2S/c9-8-11-6-4-2-1-3-5(6)7(10)12-8/h1-4,7-8,10H,9H2/t7-,8+/m1/s1
InChIKey	InChI	1.03	DVFUKUONLVBBEH-SFYZADRCSA-N

Drug Info: DrugBank

DrugBank ID	DB03972
Name	2-Amino-4h-1,3-Benzoxathiin-4-Ol
Groups	experimental
Synonyms	2-Amino-4h-1,3-Benzoxathiin-4-Ol

Related Resource References

Resource Name	Reference
PubChem	49867689

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