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

C6H9NS — CID 143022946

IUPAC(3Z)-4-(methylideneamino)penta-1,3-diene-2-thiol
SMILESC=N/C(C)=C\C(=C)S
InChIInChI=1S/C6H9NS/c1-5(7-3)4-6(2)8/h4,8H,2-3H2,1H3/b5-4-
InChIKeyMVTMNFBTXVZWES-PLNGDYQASA-N
MW127.21 g/mol
LogP2.03
Rot. Bonds2

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

(3Z)-4-(methylideneamino)penta-1,3-diene-2-thiol (PubChem CID 143022946) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is (3Z)-4-(methylideneamino)penta-1,3-diene-2-thiol.

Molecular Properties

Compound Name(3Z)-4-(methylideneamino)penta-1,3-diene-2-thiol
PubChem CID143022946
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name(3Z)-4-(methylideneamino)penta-1,3-diene-2-thiol
SMILESC=N/C(C)=C\C(=C)S
InChIInChI=1S/C6H9NS/c1-5(7-3)4-6(2)8/h4,8H,2-3H2,1H3/b5-4-
InChIKeyMVTMNFBTXVZWES-PLNGDYQASA-N
XLogP2.03
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.03
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-[(2Z,4Z)-hexa-2,4-dien-2-yl]methanimine
CID 88986031
N-penta-2,4-dien-2-ylmethanimine
CID 91009510
N-hexa-2,4-dien-2-ylmethanimine
CID 123156262
(2Z,4Z)-4-(methylideneamino)hexa-2,4-diene-3-thiol
CID 129102699
(1E,3Z)-1-(methylideneamino)penta-1,3-diene-1-thiol
CID 131978521
N-[(2Z)-penta-2,4-dien-2-yl]methanimine
CID 141770597
N-[(2E)-penta-2,4-dien-2-yl]methanimine
CID 141992083
(2E,4Z)-5-(methylideneamino)penta-2,4-diene-2-thiol
CID 142114083
(1Z,3E)-1-(methylideneamino)penta-1,3-diene-3-thiol
CID 143141260
(3Z)-4-(ethylideneamino)penta-1,3-diene-2-thiol
CID 143494446
ethane;(3Z,5Z)-4-(methylideneamino)hepta-1,3,5-triene-3-thiol
CID 143498483
(2Z)-2-(methylideneamino)penta-2,4-diene-1-thiol
CID 144963361

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-(methylideneamino)penta-1,3-diene-2-thiol?
The IUPAC name of (3Z)-4-(methylideneamino)penta-1,3-diene-2-thiol (CID 143022946) is (3Z)-4-(methylideneamino)penta-1,3-diene-2-thiol.
What is the SMILES notation for (3Z)-4-(methylideneamino)penta-1,3-diene-2-thiol?
The canonical SMILES for (3Z)-4-(methylideneamino)penta-1,3-diene-2-thiol is C=N/C(C)=C\C(=C)S.
What is the InChIKey of (3Z)-4-(methylideneamino)penta-1,3-diene-2-thiol?
The InChIKey is MVTMNFBTXVZWES-PLNGDYQASA-N. The full InChI is InChI=1S/C6H9NS/c1-5(7-3)4-6(2)8/h4,8H,2-3H2,1H3/b5-4-.
What are the key properties of (3Z)-4-(methylideneamino)penta-1,3-diene-2-thiol?
(3Z)-4-(methylideneamino)penta-1,3-diene-2-thiol has a molecular weight of 127.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-(methylideneamino)penta-1,3-diene-2-thiol is sourced from PubChem (CID 143022946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).