(1Z,4Z)-1-(methylideneamino)-3-propan-2-ylidenehexa-1,4-diene-2-thiol

C10H15NS — CID 167066070

IUPAC(1Z,4Z)-1-(methylideneamino)-3-propan-2-ylidenehexa-1,4-diene-2-thiol
SMILESC=N/C=C(/S)C(/C=C\C)=C(C)C
InChIInChI=1S/C10H15NS/c1-5-6-9(8(2)3)10(12)7-11-4/h5-7,12H,4H2,1-3H3/b6-5-,10-7-
InChIKeyDARLKQGKWQTQKF-ICZHLNMZSA-N
MW181.30 g/mol
LogP3.37
Rot. Bonds3

About (1Z,4Z)-1-(methylideneamino)-3-propan-2-ylidenehexa-1,4-diene-2-thiol

(1Z,4Z)-1-(methylideneamino)-3-propan-2-ylidenehexa-1,4-diene-2-thiol (PubChem CID 167066070) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is (1Z,4Z)-1-(methylideneamino)-3-propan-2-ylidenehexa-1,4-diene-2-thiol.

Molecular Properties

Compound Name(1Z,4Z)-1-(methylideneamino)-3-propan-2-ylidenehexa-1,4-diene-2-thiol
PubChem CID167066070
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name(1Z,4Z)-1-(methylideneamino)-3-propan-2-ylidenehexa-1,4-diene-2-thiol
SMILESC=N/C=C(/S)C(/C=C\C)=C(C)C
InChIInChI=1S/C10H15NS/c1-5-6-9(8(2)3)10(12)7-11-4/h5-7,12H,4H2,1-3H3/b6-5-,10-7-
InChIKeyDARLKQGKWQTQKF-ICZHLNMZSA-N
XLogP3.37
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(1Z,3E)-2-methylpenta-1,3-dienyl]methanimine
CID 89119181
ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine
CID 143747590
(4Z)-2-methyl-3-propan-2-ylidenehexa-1,4-diene
CID 142293143
(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine
CID 142103381
methyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate
CID 175637730
6-propan-2-ylidene-5-prop-1-en-2-ylnona-2,4,7-triene
CID 123924693
N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine
CID 139436221
ethane;(3Z)-penta-1,3-diene-2-thiol
CID 144844063
(3Z,5Z)-4-(methylideneamino)hepta-1,3,5-triene-3-thiol
CID 143498484
N-[(1E,3Z)-2-pyrimidin-5-ylpenta-1,3-dienyl]methanimine
CID 129174777
N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine
CID 142024133
(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 142933164

Frequently Asked Questions

What is the IUPAC name of (1Z,4Z)-1-(methylideneamino)-3-propan-2-ylidenehexa-1,4-diene-2-thiol?
The IUPAC name of (1Z,4Z)-1-(methylideneamino)-3-propan-2-ylidenehexa-1,4-diene-2-thiol (CID 167066070) is (1Z,4Z)-1-(methylideneamino)-3-propan-2-ylidenehexa-1,4-diene-2-thiol.
What is the SMILES notation for (1Z,4Z)-1-(methylideneamino)-3-propan-2-ylidenehexa-1,4-diene-2-thiol?
The canonical SMILES for (1Z,4Z)-1-(methylideneamino)-3-propan-2-ylidenehexa-1,4-diene-2-thiol is C=N/C=C(/S)C(/C=C\C)=C(C)C.
What is the InChIKey of (1Z,4Z)-1-(methylideneamino)-3-propan-2-ylidenehexa-1,4-diene-2-thiol?
The InChIKey is DARLKQGKWQTQKF-ICZHLNMZSA-N. The full InChI is InChI=1S/C10H15NS/c1-5-6-9(8(2)3)10(12)7-11-4/h5-7,12H,4H2,1-3H3/b6-5-,10-7-.
What are the key properties of (1Z,4Z)-1-(methylideneamino)-3-propan-2-ylidenehexa-1,4-diene-2-thiol?
(1Z,4Z)-1-(methylideneamino)-3-propan-2-ylidenehexa-1,4-diene-2-thiol has a molecular weight of 181.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z)-1-(methylideneamino)-3-propan-2-ylidenehexa-1,4-diene-2-thiol is sourced from PubChem (CID 167066070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).