1-amino-1-(methylamino)thiourea

C2H8N4S — CID 175401344

IUPAC1-amino-1-(methylamino)thiourea
SMILESCNN(N)C(N)=S
InChIInChI=1S/C2H8N4S/c1-5-6(4)2(3)7/h5H,4H2,1H3,(H2,3,7)
InChIKeyKXSJQKKLHXGTEN-UHFFFAOYSA-N
MW120.18 g/mol
LogP-1.46
Rot. Bonds1

About 1-amino-1-(methylamino)thiourea

1-amino-1-(methylamino)thiourea (PubChem CID 175401344) has the molecular formula C2H8N4S and a molecular weight of 120.18 g/mol. Its IUPAC name is 1-amino-1-(methylamino)thiourea.

Molecular Properties

Compound Name1-amino-1-(methylamino)thiourea
PubChem CID175401344
Molecular FormulaC2H8N4S
Molecular Weight120.18 g/mol
Exact Mass120.05
IUPAC Name1-amino-1-(methylamino)thiourea
SMILESCNN(N)C(N)=S
InChIInChI=1S/C2H8N4S/c1-5-6(4)2(3)7/h5H,4H2,1H3,(H2,3,7)
InChIKeyKXSJQKKLHXGTEN-UHFFFAOYSA-N
XLogP-1.46
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.18
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;O-methyl carbamothioate
CID 162314519
thiourea;1,1,3-trimethylthiourea
CID 159738783
(1Z)-3-N-amino-4-methyl-3-N-(methylamino)penta-1,3-diene-1,3-diamine
CID 170048759
1-[carbamothioyl(ethyl)amino]-1-ethylthiourea
CID 21157249
1-amino-1-tert-butyl-3-methylthiourea
CID 22975155
[(E)-2-(dimethylamino)ethenyl]thiourea
CID 156593609
azane;N,N-dimethylmethanamine;methanamine;methanol;N-methylmethanamine
CID 158599211
bismuthane;bis(O-methyl carbamothioate)
CID 172996022
iron;bis(O-methyl carbamothioate)
CID 87395326
ethane;iron(3+);carbamodithioate
CID 175496222
methylurea;hydrate
CID 141425619
1-(carbamothioylamino)-1-ethylthiourea
CID 174746533

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(methylamino)thiourea?
The IUPAC name of 1-amino-1-(methylamino)thiourea (CID 175401344) is 1-amino-1-(methylamino)thiourea.
What is the SMILES notation for 1-amino-1-(methylamino)thiourea?
The canonical SMILES for 1-amino-1-(methylamino)thiourea is CNN(N)C(N)=S.
What is the InChIKey of 1-amino-1-(methylamino)thiourea?
The InChIKey is KXSJQKKLHXGTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N4S/c1-5-6(4)2(3)7/h5H,4H2,1H3,(H2,3,7).
What are the key properties of 1-amino-1-(methylamino)thiourea?
1-amino-1-(methylamino)thiourea has a molecular weight of 120.18 g/mol, XLogP of -1.46, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(methylamino)thiourea is sourced from PubChem (CID 175401344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).