(Z)-7-(methylamino)hept-6-ene-2-thiol

C8H17NS — CID 134275161

IUPAC(Z)-7-(methylamino)hept-6-ene-2-thiol
SMILESCN/C=C\CCCC(C)S
InChIInChI=1S/C8H17NS/c1-8(10)6-4-3-5-7-9-2/h5,7-10H,3-4,6H2,1-2H3/b7-5-
InChIKeyMMRGBSNHHQBMCN-ALCCZGGFSA-N
MW159.30 g/mol
LogP2.21
Rot. Bonds5

About (Z)-7-(methylamino)hept-6-ene-2-thiol

(Z)-7-(methylamino)hept-6-ene-2-thiol (PubChem CID 134275161) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is (Z)-7-(methylamino)hept-6-ene-2-thiol.

Molecular Properties

Compound Name(Z)-7-(methylamino)hept-6-ene-2-thiol
PubChem CID134275161
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name(Z)-7-(methylamino)hept-6-ene-2-thiol
SMILESCN/C=C\CCCC(C)S
InChIInChI=1S/C8H17NS/c1-8(10)6-4-3-5-7-9-2/h5,7-10H,3-4,6H2,1-2H3/b7-5-
InChIKeyMMRGBSNHHQBMCN-ALCCZGGFSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(E)-6-ethyl-N,7-dimethyloct-1-en-1-amine
CID 170364927
5-bromo-N-methylpent-1-en-1-amine
CID 174678209
(E)-2,12-dimethyltridec-6-ene
CID 176630963
(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
CID 161032897
(Z)-2,16-dimethylheptadec-6-ene
CID 176630987
(E)-2,16-dimethylheptadec-6-ene
CID 176630989
tridecane-2,12-dithiol
CID 118018691
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
8-methylnon-3-ene
CID 54424784
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(Z)-8-methylnon-3-en-1-ol
CID 88790350

Frequently Asked Questions

What is the IUPAC name of (Z)-7-(methylamino)hept-6-ene-2-thiol?
The IUPAC name of (Z)-7-(methylamino)hept-6-ene-2-thiol (CID 134275161) is (Z)-7-(methylamino)hept-6-ene-2-thiol.
What is the SMILES notation for (Z)-7-(methylamino)hept-6-ene-2-thiol?
The canonical SMILES for (Z)-7-(methylamino)hept-6-ene-2-thiol is CN/C=C\CCCC(C)S.
What is the InChIKey of (Z)-7-(methylamino)hept-6-ene-2-thiol?
The InChIKey is MMRGBSNHHQBMCN-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H17NS/c1-8(10)6-4-3-5-7-9-2/h5,7-10H,3-4,6H2,1-2H3/b7-5-.
What are the key properties of (Z)-7-(methylamino)hept-6-ene-2-thiol?
(Z)-7-(methylamino)hept-6-ene-2-thiol has a molecular weight of 159.30 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-(methylamino)hept-6-ene-2-thiol is sourced from PubChem (CID 134275161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).