2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrile

C8H8N2S2 — CID 607253

IUPAC2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CCSC2
InChIInChI=1S/C8H8N2S2/c9-3-6-5-1-2-11-4-7(5)12-8(6)10/h1-2,4,10H2
InChIKeyFIVRDZOZCYROTQ-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.99
Rot. Bonds

About 2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrile

2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrile (PubChem CID 607253) has the molecular formula C8H8N2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrile
PubChem CID607253
Molecular FormulaC8H8N2S2
Molecular Weight196.30 g/mol
Exact Mass196.01
IUPAC Name2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CCSC2
InChIInChI=1S/C8H8N2S2/c9-3-6-5-1-2-11-4-7(5)12-8(6)10/h1-2,4,10H2
InChIKeyFIVRDZOZCYROTQ-UHFFFAOYSA-N
XLogP1.99
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carbonitrile
CID 78382
2-Amino-4,4-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 79841256
2-amino-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carbonitrile
CID 601417
2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 591744
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 591762
2-Amino-4,5-dimethyl-thiophene-3-carbonitrile
CID 290236
2-Amino-6-methyl-4,5,6,7-tetrahydrothieno(2,3-c)pyridine-3-carbonitrile
CID 264296
2-Amino-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 1830672
5-Amino-3-methyl-2,4-thiophenedicarbonitrile
CID 819555
2-Amino-4-ethyl-5-methyl-3-thiophenecarbonitrile
CID 4611800
2-Amino-4,5,6,7-tetrahydro-6-propylbenzo[b]thiophene-3-carbonitrile
CID 2887397
2-Amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 12342316

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrile?
The IUPAC name of 2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrile (CID 607253) is 2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrile.
What is the SMILES notation for 2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrile?
The canonical SMILES for 2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrile is N#Cc1c(N)sc2c1CCSC2.
What is the InChIKey of 2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrile?
The InChIKey is FIVRDZOZCYROTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S2/c9-3-6-5-1-2-11-4-7(5)12-8(6)10/h1-2,4,10H2.
What are the key properties of 2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrile?
2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrile has a molecular weight of 196.30 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrile is sourced from PubChem (CID 607253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).