CAS 56541-14-1 Cyclopropylthiourea (HCID 2560481)

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Basic information

CAS: 56541-14-1
Standard SMILES: NC(=S)NC1CC1
InChIKey: HRRQVVNZENCVRA-UHFFFAOYSA-N
Molecular formula: C4H8N2S
Average molar mass: 116.19 g/mol
Monoisotopic mass: 116.04081944

Names & identifiers

Preferred name: Cyclopropylthiourea
IUPAC: cyclopropylthiourea
English name: N-CYCLOPROPYLTHIOUREA
Molecular formula: C4H8N2S
Molecular weight: 116.18

Names & synonyms

cyclopropylthioureaRefChem:581243825-613-8N-cyclopropylthiourea1-Cyclopropylthiourea56541-14-1Thiourea, cyclopropyl-MFCD06655443cyclopropyl-thioureaSCHEMBL1473973SCHEMBL8299482DTXSID00368935

Show more names

Thiourea, N-cyclopropyl-1-Cyclopropyl-2-thiourea

AKOS008987394BS-28963CS-0213021EN300-12716SCHEMBL6319803SCHEMBL8905412SY147994DB-119929

Database identifiers

CAS: 56541-14-1
PubChem CID: 2560481
DTXSID: DTXSID00368935
EC Number: 825-613-8

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 70.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 87

Physicochemical properties

Boiling point: 201.9 · 201.9±23.0℃ (760 Torr)
Density: 1.24 · 1.24±0.1 g/cm3 (20 ºC 760 Torr)
Flash point: 75.9 · 75.9±22.6℃
pka: 14.68 · 14.68±0.20(Predicted)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301
Precautionary statements: 501 · P501-P270-P264-P301+P310+P330-P405

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS06
Hazard statements: H301
Precautionary statements: P501-P270-P264-P301+P310+P330-P405

Chemistry & industry

Applications

UsesN-Cyclopropylthiourea is a useful research chemical used in the preparation of NG-allyl-L-arginine and NG-cyclopropyl-L-arginine as inhibitors of macrophage nitric oxide synthase.