2-amino-6-(2,3-dihydro-1-benzothiophen-2-yl)-1H-1,3,5-triazine-4-thione

C11H10N4S2 — CID 83240312

IUPAC2-amino-6-(2,3-dihydro-1-benzothiophen-2-yl)-1H-1,3,5-triazine-4-thione
SMILESNc1nc(=S)nc(C2Cc3ccccc3S2)[nH]1
InChIInChI=1S/C11H10N4S2/c12-10-13-9(14-11(16)15-10)8-5-6-3-1-2-4-7(6)17-8/h1-4,8H,5H2,(H3,12,13,14,15,16)
InChIKeyNKYKUTVEMAMWEV-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.51
Rot. Bonds1

About 2-amino-6-(2,3-dihydro-1-benzothiophen-2-yl)-1H-1,3,5-triazine-4-thione

2-amino-6-(2,3-dihydro-1-benzothiophen-2-yl)-1H-1,3,5-triazine-4-thione (PubChem CID 83240312) has the molecular formula C11H10N4S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-amino-6-(2,3-dihydro-1-benzothiophen-2-yl)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-(2,3-dihydro-1-benzothiophen-2-yl)-1H-1,3,5-triazine-4-thione
PubChem CID83240312
Molecular FormulaC11H10N4S2
Molecular Weight262.36 g/mol
Exact Mass262.03
IUPAC Name2-amino-6-(2,3-dihydro-1-benzothiophen-2-yl)-1H-1,3,5-triazine-4-thione
SMILESNc1nc(=S)nc(C2Cc3ccccc3S2)[nH]1
InChIInChI=1S/C11H10N4S2/c12-10-13-9(14-11(16)15-10)8-5-6-3-1-2-4-7(6)17-8/h1-4,8H,5H2,(H3,12,13,14,15,16)
InChIKeyNKYKUTVEMAMWEV-UHFFFAOYSA-N
XLogP2.51
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-(2,3-dihydro-1-benzothiophen-2-yl)-3,7-dihydropurine-2,6-dione
CID 114402794
3-cyclopropyl-5-(2,3-dihydro-1-benzothiophen-2-yl)-1H-1,2,4-triazole
CID 79217604
4-chloro-6-(2,3-dihydro-1-benzothiophen-2-yl)-1,3,5-triazin-2-amine
CID 83240330
(2S)-2-[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-2,3-dihydro-1-benzothiophene
CID 11149916
2-(2,3-dihydro-1-benzothiophen-2-yl)-1,3-benzoxazol-5-amine
CID 79214923
2-[[5-(2,3-dihydro-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 79217398
2-(2-chlorophenyl)-2,3-dihydro-1-benzothiophene
CID 102045962
2-[5-(2,3-dihydro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 79206528
5-chloro-2-(2,3-dihydro-1-benzothiophen-2-yl)-1,3-benzoxazol-6-amine
CID 115539832
2-[5-(2,3-dihydro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 79206750
2,3-dimethyl-3,4-dihydro-2H-thiochromene
CID 19855208
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrazol-3-amine
CID 79222952

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,3-dihydro-1-benzothiophen-2-yl)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-(2,3-dihydro-1-benzothiophen-2-yl)-1H-1,3,5-triazine-4-thione (CID 83240312) is 2-amino-6-(2,3-dihydro-1-benzothiophen-2-yl)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-(2,3-dihydro-1-benzothiophen-2-yl)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-(2,3-dihydro-1-benzothiophen-2-yl)-1H-1,3,5-triazine-4-thione is Nc1nc(=S)nc(C2Cc3ccccc3S2)[nH]1.
What is the InChIKey of 2-amino-6-(2,3-dihydro-1-benzothiophen-2-yl)-1H-1,3,5-triazine-4-thione?
The InChIKey is NKYKUTVEMAMWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S2/c12-10-13-9(14-11(16)15-10)8-5-6-3-1-2-4-7(6)17-8/h1-4,8H,5H2,(H3,12,13,14,15,16).
What are the key properties of 2-amino-6-(2,3-dihydro-1-benzothiophen-2-yl)-1H-1,3,5-triazine-4-thione?
2-amino-6-(2,3-dihydro-1-benzothiophen-2-yl)-1H-1,3,5-triazine-4-thione has a molecular weight of 262.36 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,3-dihydro-1-benzothiophen-2-yl)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 83240312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).