1-(carbamothioylamino)-1-ethylthiourea

C4H10N4S2 — CID 174746533

IUPAC1-(carbamothioylamino)-1-ethylthiourea
SMILESCCN(NC(N)=S)C(N)=S
InChIInChI=1S/C4H10N4S2/c1-2-8(4(6)10)7-3(5)9/h2H2,1H3,(H2,6,10)(H3,5,7,9)
InChIKeyXWCXSAHMMSZJCN-UHFFFAOYSA-N
MW178.29 g/mol
LogP-0.70
Rot. Bonds1

About 1-(carbamothioylamino)-1-ethylthiourea

1-(carbamothioylamino)-1-ethylthiourea (PubChem CID 174746533) has the molecular formula C4H10N4S2 and a molecular weight of 178.29 g/mol. Its IUPAC name is 1-(carbamothioylamino)-1-ethylthiourea.

Molecular Properties

Compound Name1-(carbamothioylamino)-1-ethylthiourea
PubChem CID174746533
Molecular FormulaC4H10N4S2
Molecular Weight178.29 g/mol
Exact Mass178.03
IUPAC Name1-(carbamothioylamino)-1-ethylthiourea
SMILESCCN(NC(N)=S)C(N)=S
InChIInChI=1S/C4H10N4S2/c1-2-8(4(6)10)7-3(5)9/h2H2,1H3,(H2,6,10)(H3,5,7,9)
InChIKeyXWCXSAHMMSZJCN-UHFFFAOYSA-N
XLogP-0.70
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.29
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[carbamothioyl(ethyl)amino]-1-ethylthiourea
CID 21157249
1-ethyl-1-[(2-methylfuran-3-carbonyl)amino]thiourea
CID 22305790
1-ethyl-1-(pyridine-2-carbonylamino)thiourea
CID 22301171
1,1-diethylthiourea;λ2-plumbane
CID 173060169
1-(1-benzothiophene-3-carbonylamino)-1-ethylthiourea
CID 22301185
1-(diethylamino)-1-methylthiourea
CID 121344971
carbamodithioic acid;N,N-diethylethanamine
CID 71364945
1-(carbamothioylamino)-1-methyl-3-propylidenethiourea
CID 90718516
1-(carbamothioylamino)-1-methylurea
CID 20832097
1-ethyl-1-[[4-[(4-nitropyrazol-1-yl)methyl]benzoyl]amino]thiourea
CID 22305999
azane;ethylthiourea
CID 175294002
1-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-1-butylthiourea
CID 22305897

Frequently Asked Questions

What is the IUPAC name of 1-(carbamothioylamino)-1-ethylthiourea?
The IUPAC name of 1-(carbamothioylamino)-1-ethylthiourea (CID 174746533) is 1-(carbamothioylamino)-1-ethylthiourea.
What is the SMILES notation for 1-(carbamothioylamino)-1-ethylthiourea?
The canonical SMILES for 1-(carbamothioylamino)-1-ethylthiourea is CCN(NC(N)=S)C(N)=S.
What is the InChIKey of 1-(carbamothioylamino)-1-ethylthiourea?
The InChIKey is XWCXSAHMMSZJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4S2/c1-2-8(4(6)10)7-3(5)9/h2H2,1H3,(H2,6,10)(H3,5,7,9).
What are the key properties of 1-(carbamothioylamino)-1-ethylthiourea?
1-(carbamothioylamino)-1-ethylthiourea has a molecular weight of 178.29 g/mol, XLogP of -0.70, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamothioylamino)-1-ethylthiourea is sourced from PubChem (CID 174746533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).