(2-methylpropylamino)thiourea

C5H13N3S — CID 55290300

IUPAC(2-methylpropylamino)thiourea
SMILESCC(C)CNNC(N)=S
InChIInChI=1S/C5H13N3S/c1-4(2)3-7-8-5(6)9/h4,7H,3H2,1-2H3,(H3,6,8,9)
InChIKeyJYOYBPMNXUIHFJ-UHFFFAOYSA-N
MW147.25 g/mol
LogP-0.02
Rot. Bonds3

About (2-methylpropylamino)thiourea

(2-methylpropylamino)thiourea (PubChem CID 55290300) has the molecular formula C5H13N3S and a molecular weight of 147.25 g/mol. Its IUPAC name is (2-methylpropylamino)thiourea.

Molecular Properties

Compound Name(2-methylpropylamino)thiourea
PubChem CID55290300
Molecular FormulaC5H13N3S
Molecular Weight147.25 g/mol
Exact Mass147.08
IUPAC Name(2-methylpropylamino)thiourea
SMILESCC(C)CNNC(N)=S
InChIInChI=1S/C5H13N3S/c1-4(2)3-7-8-5(6)9/h4,7H,3H2,1-2H3,(H3,6,8,9)
InChIKeyJYOYBPMNXUIHFJ-UHFFFAOYSA-N
XLogP-0.02
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.25
LogP ≤ 5-0.02
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

Hydrazinecarbothioamide, 2-propyl-
CID 3374478
2-Ethylhydrazinecarbothioamide
CID 22105028
Butylthiosemicarbazide
CID 23054747
N-isopropylthiosemicarbazone
CID 55288596
6-(Propan-2-yl)-1,2,4,5-tetrazinane-3-thione
CID 4639638
1-Isopropylthiocarbohydrazide
CID 15647642
1-Hydrazinyl-2-methylpropan-1-amine
CID 55280356
(Butan-2-ylamino)thiourea
CID 55290297
(Pentylamino)thiourea
CID 87060544
1-Methyl-3-(2-methylpropylamino)thiourea
CID 129929976
N',2-dimethylpropanethiohydrazide
CID 144948313
(1R)-1-hydrazinyl-2-methylpropan-1-amine
CID 147599033

Frequently Asked Questions

What is the IUPAC name of (2-methylpropylamino)thiourea?
The IUPAC name of (2-methylpropylamino)thiourea (CID 55290300) is (2-methylpropylamino)thiourea.
What is the SMILES notation for (2-methylpropylamino)thiourea?
The canonical SMILES for (2-methylpropylamino)thiourea is CC(C)CNNC(N)=S.
What is the InChIKey of (2-methylpropylamino)thiourea?
The InChIKey is JYOYBPMNXUIHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3S/c1-4(2)3-7-8-5(6)9/h4,7H,3H2,1-2H3,(H3,6,8,9).
What are the key properties of (2-methylpropylamino)thiourea?
(2-methylpropylamino)thiourea has a molecular weight of 147.25 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropylamino)thiourea is sourced from PubChem (CID 55290300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).