[(1S,2S)-2-(1-hydroxyethenyl)cyclopropyl] carbamimidothioate

C6H10N2OS — CID 118493191

IUPAC[(1S,2S)-2-(1-hydroxyethenyl)cyclopropyl] carbamimidothioate
SMILES[H]/N=C(\N)S[C@H]1C[C@H]1C(=C)O
InChIInChI=1S/C6H10N2OS/c1-3(9)4-2-5(4)10-6(7)8/h4-5,9H,1-2H2,(H3,7,8)/t4-,5-/m0/s1
InChIKeyACMKRSKGNKHXGY-WHFBIAKZSA-N
MW158.23 g/mol
LogP1.07
Rot. Bonds2

About [(1S,2S)-2-(1-hydroxyethenyl)cyclopropyl] carbamimidothioate

[(1S,2S)-2-(1-hydroxyethenyl)cyclopropyl] carbamimidothioate (PubChem CID 118493191) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is [(1S,2S)-2-(1-hydroxyethenyl)cyclopropyl] carbamimidothioate.

Molecular Properties

Compound Name[(1S,2S)-2-(1-hydroxyethenyl)cyclopropyl] carbamimidothioate
PubChem CID118493191
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name[(1S,2S)-2-(1-hydroxyethenyl)cyclopropyl] carbamimidothioate
SMILES[H]/N=C(\N)S[C@H]1C[C@H]1C(=C)O
InChIInChI=1S/C6H10N2OS/c1-3(9)4-2-5(4)10-6(7)8/h4-5,9H,1-2H2,(H3,7,8)/t4-,5-/m0/s1
InChIKeyACMKRSKGNKHXGY-WHFBIAKZSA-N
XLogP1.07
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl carbamimidothioate;hydrobromide
CID 13257205
cycloheptyl carbamimidothioate
CID 82935855
(2-methoxycyclopentyl) carbamimidothioate
CID 130587171
(4-methyl-1,1-dioxothiolan-3-yl) carbamimidothioate;sulfuric acid
CID 45048013
(1-methylpiperidin-4-yl) carbamimidothioate
CID 164875555
cyclohexyl carbamimidothioate;oxalonitrile
CID 162013325
[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl] carbamimidothioate
CID 51421535
chloro carbamimidothioate
CID 18343918
1-hydroxyethyl carbamimidothioate
CID 19790650
[hydroxy-(imino-λ4-sulfanylidene)methyl] carbamimidothioate
CID 150828738
(E)-3-carbamimidoylsulfanylprop-2-enoic acid;hydrobromide
CID 167713305
methanol;methyl carbamimidothioate
CID 174859349

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(1-hydroxyethenyl)cyclopropyl] carbamimidothioate?
The IUPAC name of [(1S,2S)-2-(1-hydroxyethenyl)cyclopropyl] carbamimidothioate (CID 118493191) is [(1S,2S)-2-(1-hydroxyethenyl)cyclopropyl] carbamimidothioate.
What is the SMILES notation for [(1S,2S)-2-(1-hydroxyethenyl)cyclopropyl] carbamimidothioate?
The canonical SMILES for [(1S,2S)-2-(1-hydroxyethenyl)cyclopropyl] carbamimidothioate is [H]/N=C(\N)S[C@H]1C[C@H]1C(=C)O.
What is the InChIKey of [(1S,2S)-2-(1-hydroxyethenyl)cyclopropyl] carbamimidothioate?
The InChIKey is ACMKRSKGNKHXGY-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-3(9)4-2-5(4)10-6(7)8/h4-5,9H,1-2H2,(H3,7,8)/t4-,5-/m0/s1.
What are the key properties of [(1S,2S)-2-(1-hydroxyethenyl)cyclopropyl] carbamimidothioate?
[(1S,2S)-2-(1-hydroxyethenyl)cyclopropyl] carbamimidothioate has a molecular weight of 158.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(1-hydroxyethenyl)cyclopropyl] carbamimidothioate is sourced from PubChem (CID 118493191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).