6-aminocyclohex-2-ene-1-thione

C6H9NS — CID 123342371

IUPAC6-aminocyclohex-2-ene-1-thione
SMILESNC1CCC=CC1=S
InChIInChI=1S/C6H9NS/c7-5-3-1-2-4-6(5)8/h2,4-5H,1,3,7H2
InChIKeyCFXJINJCWSXZBG-UHFFFAOYSA-N
MW127.21 g/mol
LogP1.03
Rot. Bonds

About 6-aminocyclohex-2-ene-1-thione

6-aminocyclohex-2-ene-1-thione (PubChem CID 123342371) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 6-aminocyclohex-2-ene-1-thione.

Molecular Properties

Compound Name6-aminocyclohex-2-ene-1-thione
PubChem CID123342371
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name6-aminocyclohex-2-ene-1-thione
SMILESNC1CCC=CC1=S
InChIInChI=1S/C6H9NS/c7-5-3-1-2-4-6(5)8/h2,4-5H,1,3,7H2
InChIKeyCFXJINJCWSXZBG-UHFFFAOYSA-N
XLogP1.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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CID 143343680
(1S,2S)-cyclohex-3-ene-1,2-diamine
CID 11194740
6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine
CID 88997048
(1S,6R)-6-aminocyclohex-2-en-1-ol
CID 55284350
(1R)-2-chlorocyclopent-2-en-1-amine;hydrochloride
CID 118540639
(6-methylcyclohex-2-en-1-ylidene)zirconium(2+)
CID 161007321
4-ethenyl-3-methylidenecyclohexene
CID 561677
3-amino-1-(2-methyl-1-methylperoxypropan-2-yl)-4,5-dihydro-3H-azepin-2-one
CID 54492613
1,3-difluoro-1,2,3,7,8,8a-hexahydronaphthalene
CID 145389502
4-methyl-3-propan-2-ylidenecyclohexene
CID 564722
2,3-dihydrothiopyran-6-thione
CID 54426833

Frequently Asked Questions

What is the IUPAC name of 6-aminocyclohex-2-ene-1-thione?
The IUPAC name of 6-aminocyclohex-2-ene-1-thione (CID 123342371) is 6-aminocyclohex-2-ene-1-thione.
What is the SMILES notation for 6-aminocyclohex-2-ene-1-thione?
The canonical SMILES for 6-aminocyclohex-2-ene-1-thione is NC1CCC=CC1=S.
What is the InChIKey of 6-aminocyclohex-2-ene-1-thione?
The InChIKey is CFXJINJCWSXZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c7-5-3-1-2-4-6(5)8/h2,4-5H,1,3,7H2.
What are the key properties of 6-aminocyclohex-2-ene-1-thione?
6-aminocyclohex-2-ene-1-thione has a molecular weight of 127.21 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminocyclohex-2-ene-1-thione is sourced from PubChem (CID 123342371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).