CID 58544106

C4H8NS — CID 58544106

IUPAC—
SMILES[H]/N=C(\C)SC[CH2]
InChIInChI=1S/C4H8NS/c1-3-6-4(2)5/h5H,1,3H2,2H3/b5-4+
InChIKeyAZSJDHVEQRCDRY-SNAWJCMRSA-N
MW102.18 g/mol
LogP1.55
Rot. Bonds1

About CID 58544106

CID 58544106 (PubChem CID 58544106) has the molecular formula C4H8NS and a molecular weight of 102.18 g/mol.

Molecular Properties

Compound NameCID 58544106
PubChem CID58544106
Molecular FormulaC4H8NS
Molecular Weight102.18 g/mol
Exact Mass102.04
IUPAC Name—
SMILES[H]/N=C(\C)SC[CH2]
InChIInChI=1S/C4H8NS/c1-3-6-4(2)5/h5H,1,3H2,2H3/b5-4+
InChIKeyAZSJDHVEQRCDRY-SNAWJCMRSA-N
XLogP1.55
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 51.55
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

methyl ethanimidothioate
CID 11063866
cyclobutylmethyl ethanimidothioate
CID 142153982
ethanimidamide;guanidine
CID 160661984
3-iminobutanimidoyl bromide
CID 118688687
1-ethenylsulfanylpropan-2-imine
CID 123745531
[2-(2-nitrophenyl)-2-oxoethyl] ethanimidothioate
CID 135078857
S-(2-amino-2-iminoethyl) ethanethioate
CID 163906156
prop-2-enyl N-carbamimidoyl-N'-propan-2-ylcarbamimidothioate;hydrochloride
CID 176518910
(1-amino-1-oxopropan-2-yl) ethanimidothioate
CID 87476191
S-ethyl 2-imino-3-oxobutanethioate
CID 152701154
ethanimidoyl 2,2,2-trifluoro-N-methylethanimidothioate
CID 162548151
ethanimidate;methane
CID 162090399

Frequently Asked Questions

What is the IUPAC name of CID 58544106?
The IUPAC name of CID 58544106 (CID 58544106) is not available.
What is the SMILES notation for CID 58544106?
The canonical SMILES for CID 58544106 is [H]/N=C(\C)SC[CH2].
What is the InChIKey of CID 58544106?
The InChIKey is AZSJDHVEQRCDRY-SNAWJCMRSA-N. The full InChI is InChI=1S/C4H8NS/c1-3-6-4(2)5/h5H,1,3H2,2H3/b5-4+.
What are the key properties of CID 58544106?
CID 58544106 has a molecular weight of 102.18 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58544106 is sourced from PubChem (CID 58544106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).