N-Cyclopropylthiourea - CAS 56541-14-1

Name: N-Cyclopropylthiourea
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB069056
Product Name:	N-Cyclopropylthiourea
CAS:	56541-14-1
Synonyms:	1-Cyclopropyl-2-thiourea; 1-Cyclopropylthiourea; Cyclopropylthiourea

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	cyclopropylthiourea
Description:	N-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.
Molecular Weight:	116.19
Molecular Formula:	C4H8N2S
Canonical SMILES:	C1CC1NC(=S)N
InChI:	InChI=1S/C4H8N2S/c5-4(7)6-3-1-2-3/h3H,1-2H2,(H3,5,6,7)
InChI Key:	HRRQVVNZENCVRA-UHFFFAOYSA-N
References:	Oiken, N., and Marletta, M. J. Med. Chem., 35, 6, 1137-44, (1992).

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Related Functional Groups

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P316, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	87.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	116.04081944
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	116.04081944
Rotatable Bond Count:	1
Topological Polar Surface Area:	70.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1