(carbamothioylamino)oxythiourea

C2H6N4OS2 — CID 174275011

IUPAC(carbamothioylamino)oxythiourea
SMILESNC(=S)NONC(N)=S
InChIInChI=1S/C2H6N4OS2/c3-1(8)5-7-6-2(4)9/h(H3,3,5,8)(H3,4,6,9)
InChIKeyAHQCBKSPTPYPOY-UHFFFAOYSA-N
MW166.23 g/mol
LogP-1.50
Rot. Bonds2

About (carbamothioylamino)oxythiourea

(carbamothioylamino)oxythiourea (PubChem CID 174275011) has the molecular formula C2H6N4OS2 and a molecular weight of 166.23 g/mol. Its IUPAC name is (carbamothioylamino)oxythiourea.

Molecular Properties

Compound Name(carbamothioylamino)oxythiourea
PubChem CID174275011
Molecular FormulaC2H6N4OS2
Molecular Weight166.23 g/mol
Exact Mass166.00
IUPAC Name(carbamothioylamino)oxythiourea
SMILESNC(=S)NONC(N)=S
InChIInChI=1S/C2H6N4OS2/c3-1(8)5-7-6-2(4)9/h(H3,3,5,8)(H3,4,6,9)
InChIKeyAHQCBKSPTPYPOY-UHFFFAOYSA-N
XLogP-1.50
TPSA85.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

CID 173119695
CID 173119695
fluorosilylthiourea
CID 123167768
iron;bis(O-methyl carbamothioate)
CID 87395326
bismuthane;bis(O-methyl carbamothioate)
CID 172996022
azane;O-methyl carbamothioate
CID 162314519
thiourea;tetrahydrobromide
CID 173150762
silane;thiourea
CID 159977961
2-[2-(carbamothioylamino)ethoxy]ethylthiourea
CID 56622418
amino N-carbamothioylcarbamate
CID 151836432
dihydroxymethylthiourea
CID 141012549
1,1-dimethoxyethylthiourea
CID 22768417
O-methyl 2-aminoethanethioate
CID 140974503

Frequently Asked Questions

What is the IUPAC name of (carbamothioylamino)oxythiourea?
The IUPAC name of (carbamothioylamino)oxythiourea (CID 174275011) is (carbamothioylamino)oxythiourea.
What is the SMILES notation for (carbamothioylamino)oxythiourea?
The canonical SMILES for (carbamothioylamino)oxythiourea is NC(=S)NONC(N)=S.
What is the InChIKey of (carbamothioylamino)oxythiourea?
The InChIKey is AHQCBKSPTPYPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N4OS2/c3-1(8)5-7-6-2(4)9/h(H3,3,5,8)(H3,4,6,9).
What are the key properties of (carbamothioylamino)oxythiourea?
(carbamothioylamino)oxythiourea has a molecular weight of 166.23 g/mol, XLogP of -1.50, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (carbamothioylamino)oxythiourea is sourced from PubChem (CID 174275011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).