hex-5-enethioamide

C6H11NS — CID 88640967

IUPAChex-5-enethioamide
SMILESC=CCCCC(N)=S
InChIInChI=1S/C6H11NS/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H2,7,8)
InChIKeyBHEZSCZLWDURSI-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.63
Rot. Bonds4

About hex-5-enethioamide

hex-5-enethioamide (PubChem CID 88640967) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is hex-5-enethioamide.

Molecular Properties

Compound Namehex-5-enethioamide
PubChem CID88640967
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Namehex-5-enethioamide
SMILESC=CCCCC(N)=S
InChIInChI=1S/C6H11NS/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H2,7,8)
InChIKeyBHEZSCZLWDURSI-UHFFFAOYSA-N
XLogP1.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

nonadec-18-enamide
CID 166991988
9-methylideneicosa-1,19-diene
CID 173334659
hepta-1,6-diene-2-thiol
CID 150042707
non-8-en-4-one
CID 11137251
(2Z)-octa-2,7-dien-3-ol
CID 11116072
heptadeca-1,16-diene
CID 6429392
heptacosa-1,26-diene
CID 58905535
potassium pent-4-enoxymethanedithioate
CID 134878474
methyl undec-10-enedithioate
CID 134988678
O-silyl hept-6-enethioate
CID 154086221
6,8-dimethylidenetrideca-1,12-dien-7-one
CID 121004746
12-aminododec-1-en-6-one
CID 116551538

Frequently Asked Questions

What is the IUPAC name of hex-5-enethioamide?
The IUPAC name of hex-5-enethioamide (CID 88640967) is hex-5-enethioamide.
What is the SMILES notation for hex-5-enethioamide?
The canonical SMILES for hex-5-enethioamide is C=CCCCC(N)=S.
What is the InChIKey of hex-5-enethioamide?
The InChIKey is BHEZSCZLWDURSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H2,7,8).
What are the key properties of hex-5-enethioamide?
hex-5-enethioamide has a molecular weight of 129.23 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-enethioamide is sourced from PubChem (CID 88640967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).