amino N-carbamothioylcarbamate

C2H5N3O2S — CID 151836432

IUPACamino N-carbamothioylcarbamate
SMILESNOC(=O)NC(N)=S
InChIInChI=1S/C2H5N3O2S/c3-1(8)5-2(6)7-4/h4H2,(H3,3,5,6,8)
InChIKeySFTFQCBUDGXWLV-UHFFFAOYSA-N
MW135.15 g/mol
LogP-1.17
Rot. Bonds

About amino N-carbamothioylcarbamate

amino N-carbamothioylcarbamate (PubChem CID 151836432) has the molecular formula C2H5N3O2S and a molecular weight of 135.15 g/mol. Its IUPAC name is amino N-carbamothioylcarbamate.

Molecular Properties

Compound Nameamino N-carbamothioylcarbamate
PubChem CID151836432
Molecular FormulaC2H5N3O2S
Molecular Weight135.15 g/mol
Exact Mass135.01
IUPAC Nameamino N-carbamothioylcarbamate
SMILESNOC(=O)NC(N)=S
InChIInChI=1S/C2H5N3O2S/c3-1(8)5-2(6)7-4/h4H2,(H3,3,5,6,8)
InChIKeySFTFQCBUDGXWLV-UHFFFAOYSA-N
XLogP-1.17
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.15
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

O-amino N-carbamoylcarbamothioate
CID 54398285
N-carbamothioylcarbamate
CID 18539794
1-carbamothioyl-3-carbamoylurea
CID 57033303
benzyl N-carbamothioylcarbamate
CID 23366039
amino N-ethanehydrazonoylcarbamate
CID 137243939
2-[2-(carbamothioylamino)-2-oxoethoxy]acetic acid
CID 87676961
acetamide;ethanethioamide
CID 159993772
carbamoylurea;copper;thiourea
CID 175029091
(E)-N-carbamothioyl-3-hydroxybut-2-enamide
CID 54716596
thiourea;urea
CID 22007323
(carbamothioylamino)oxythiourea
CID 174275011
5-(carbamothioylamino)-5-oxopentanoic acid
CID 87759083

Frequently Asked Questions

What is the IUPAC name of amino N-carbamothioylcarbamate?
The IUPAC name of amino N-carbamothioylcarbamate (CID 151836432) is amino N-carbamothioylcarbamate.
What is the SMILES notation for amino N-carbamothioylcarbamate?
The canonical SMILES for amino N-carbamothioylcarbamate is NOC(=O)NC(N)=S.
What is the InChIKey of amino N-carbamothioylcarbamate?
The InChIKey is SFTFQCBUDGXWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3O2S/c3-1(8)5-2(6)7-4/h4H2,(H3,3,5,6,8).
What are the key properties of amino N-carbamothioylcarbamate?
amino N-carbamothioylcarbamate has a molecular weight of 135.15 g/mol, XLogP of -1.17, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-carbamothioylcarbamate is sourced from PubChem (CID 151836432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).