4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazine-2-thione

C10H10N2S3 — CID 1180504

IUPAC4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazine-2-thione
SMILESNc1sc(=S)nc2sc3c(c12)CCCC3
InChIInChI=1S/C10H10N2S3/c11-8-7-5-3-1-2-4-6(5)14-9(7)12-10(13)15-8/h1-4,11H2
InChIKeyIEKLPOJJSKPQJQ-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.55
Rot. Bonds

About 4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazine-2-thione

4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazine-2-thione (PubChem CID 1180504) has the molecular formula C10H10N2S3 and a molecular weight of 254.40 g/mol. Its IUPAC name is 4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazine-2-thione.

Molecular Properties

Compound Name4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazine-2-thione
PubChem CID1180504
Molecular FormulaC10H10N2S3
Molecular Weight254.40 g/mol
Exact Mass254.00
IUPAC Name4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazine-2-thione
SMILESNc1sc(=S)nc2sc3c(c12)CCCC3
InChIInChI=1S/C10H10N2S3/c11-8-7-5-3-1-2-4-6(5)14-9(7)12-10(13)15-8/h1-4,11H2
InChIKeyIEKLPOJJSKPQJQ-UHFFFAOYSA-N
XLogP3.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine
CID 751739
19-thia-2-azatetracyclo[10.7.0.03,10.013,18]nonadeca-1,3(10),11,13(18)-tetraen-11-amine
CID 2330392
14-amino-15-ethenyl-19-thia-15,17-diazatricyclo[10.7.0.013,18]nonadeca-1(12),13,17-triene-16-thione
CID 23849207
potassium 4-sulfanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-thiolate
CID 46934377
2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 55038211
10-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 13289819
27-amino-11,17-dithia-13,15,28-triazahexacyclo[13.13.0.02,12.03,10.016,26.018,25]octacosa-1,3(10),12,16(26),18(25),27-hexaene-14-thione
CID 57341529
4-amino-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione
CID 15628970
2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 82887290
(5-methyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-yl)hydrazine
CID 16656117
5-methyl-4-oxa-8-thia-6-azatricyclo[7.6.0.02,7]pentadeca-1(9),2(7),5-trien-3-one
CID 4633853
4-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]butan-2-one
CID 7570252

Frequently Asked Questions

What is the IUPAC name of 4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazine-2-thione?
The IUPAC name of 4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazine-2-thione (CID 1180504) is 4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazine-2-thione.
What is the SMILES notation for 4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazine-2-thione?
The canonical SMILES for 4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazine-2-thione is Nc1sc(=S)nc2sc3c(c12)CCCC3.
What is the InChIKey of 4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazine-2-thione?
The InChIKey is IEKLPOJJSKPQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S3/c11-8-7-5-3-1-2-4-6(5)14-9(7)12-10(13)15-8/h1-4,11H2.
What are the key properties of 4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazine-2-thione?
4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazine-2-thione has a molecular weight of 254.40 g/mol, XLogP of 3.55, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazine-2-thione is sourced from PubChem (CID 1180504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).