methyl N'-[(Z)-but-1-enyl]carbamimidothioate

C6H12N2S — CID 144920980

IUPACmethyl N'-[(Z)-but-1-enyl]carbamimidothioate
SMILESCC/C=C\N=C(\N)SC
InChIInChI=1S/C6H12N2S/c1-3-4-5-8-6(7)9-2/h4-5H,3H2,1-2H3,(H2,7,8)/b5-4-
InChIKeyUMQKKLLZJZQEHZ-PLNGDYQASA-N
MW144.24 g/mol
LogP1.59
Rot. Bonds2

About methyl N'-[(Z)-but-1-enyl]carbamimidothioate

methyl N'-[(Z)-but-1-enyl]carbamimidothioate (PubChem CID 144920980) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is methyl N'-[(Z)-but-1-enyl]carbamimidothioate.

Molecular Properties

Compound Namemethyl N'-[(Z)-but-1-enyl]carbamimidothioate
PubChem CID144920980
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Namemethyl N'-[(Z)-but-1-enyl]carbamimidothioate
SMILESCC/C=C\N=C(\N)SC
InChIInChI=1S/C6H12N2S/c1-3-4-5-8-6(7)9-2/h4-5H,3H2,1-2H3,(H2,7,8)/b5-4-
InChIKeyUMQKKLLZJZQEHZ-PLNGDYQASA-N
XLogP1.59
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-but-1-enyl]propan-2-imine;ethane
CID 145419661
methyl N'-[(E)-2-(dimethylamino)ethenyl]carbamimidothioate
CID 76851920
N-[(Z)-but-1-enyl]but-3-ynimidoyl fluoride
CID 166838368
N'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide
CID 155443629
methyl N'-ethylcarbamimidothioate;hydrochloride
CID 158305401
(Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide
CID 145143694
2-[(Z)-but-1-enyl]iminobut-3-en-1-ol
CID 126762670
methyl N'-ethylphosphanylcarbamimidothioate
CID 123428742
methyl N'-carbamothioylcarbamimidothioate
CID 11744796
methyl N'-(2-aminoethanethioyl)carbamimidothioate
CID 166686871
ethane;N-[(1Z,3E)-hexa-1,3-dienyl]propan-2-imine
CID 145278225
3-[(Z)-but-1-enyl]iminopent-4-enal
CID 126695355

Frequently Asked Questions

What is the IUPAC name of methyl N'-[(Z)-but-1-enyl]carbamimidothioate?
The IUPAC name of methyl N'-[(Z)-but-1-enyl]carbamimidothioate (CID 144920980) is methyl N'-[(Z)-but-1-enyl]carbamimidothioate.
What is the SMILES notation for methyl N'-[(Z)-but-1-enyl]carbamimidothioate?
The canonical SMILES for methyl N'-[(Z)-but-1-enyl]carbamimidothioate is CC/C=C\N=C(\N)SC.
What is the InChIKey of methyl N'-[(Z)-but-1-enyl]carbamimidothioate?
The InChIKey is UMQKKLLZJZQEHZ-PLNGDYQASA-N. The full InChI is InChI=1S/C6H12N2S/c1-3-4-5-8-6(7)9-2/h4-5H,3H2,1-2H3,(H2,7,8)/b5-4-.
What are the key properties of methyl N'-[(Z)-but-1-enyl]carbamimidothioate?
methyl N'-[(Z)-but-1-enyl]carbamimidothioate has a molecular weight of 144.24 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-[(Z)-but-1-enyl]carbamimidothioate is sourced from PubChem (CID 144920980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).